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Reverse Transformation
- nivedita
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11 years 7 months ago #1148
by nivedita
Reverse Transformation was created by nivedita
Hello sir,
im using Martini force field for coarse grained simulation and i want to reverse transform the cg into fine grained(fg) but when i try to do it by using g_fg2cg it showing that command not found when i check the bin file then there are no such file. please tell how to do this my protein system is simple protein in water.
im waiting for your reply
Thanks in advance
Nivedita Rai
im using Martini force field for coarse grained simulation and i want to reverse transform the cg into fine grained(fg) but when i try to do it by using g_fg2cg it showing that command not found when i check the bin file then there are no such file. please tell how to do this my protein system is simple protein in water.
im waiting for your reply
Thanks in advance
Nivedita Rai
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11 years 7 months ago #1150
by floris
Replied by floris on topic Reverse Transformation
Hello Nivedita,
Did you use the special modified gromacs version?
It can be found here: md.chem.rug.nl/cgmartini/index.php/tutor...verse-transformation
Do not forget to source it when you want to use it.
Good luck
FLoris
Did you use the special modified gromacs version?
It can be found here: md.chem.rug.nl/cgmartini/index.php/tutor...verse-transformation
Do not forget to source it when you want to use it.
Good luck
FLoris
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- nivedita
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11 years 7 months ago #1151
by nivedita
Replied by nivedita on topic Reverse Transformation
Hello floris,
I follow this site whatever it is given there i already follow but when i run 4th step it shows g_fg2cg "command not found" and one more thing is that i check the installed gromacs 3.3.1 version there are no such file in it.
Please tell what i do?
I follow this site whatever it is given there i already follow but when i run 4th step it shows g_fg2cg "command not found" and one more thing is that i check the installed gromacs 3.3.1 version there are no such file in it.
Please tell what i do?
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11 years 7 months ago #1154
by floris
Replied by floris on topic Reverse Transformation
Hello Nivedita,
if the g_fg2cg command does not appear, something is wrong with the installation/sourcing of the gromacs 3.3.1 modified version.
So the following things could have gone wrong
- did you download the special gromacs version from the tutorial page, and not for example directly from the gromacs website (if you have downloaded the correct version, you can find the g_fg2cg in the gromacs-3.3.1/bin/ folder
- did you compile & install everything correctly?
- did you source the gromacs 3.3.1 correctly???
Good luck
Floris
if the g_fg2cg command does not appear, something is wrong with the installation/sourcing of the gromacs 3.3.1 modified version.
So the following things could have gone wrong
- did you download the special gromacs version from the tutorial page, and not for example directly from the gromacs website (if you have downloaded the correct version, you can find the g_fg2cg in the gromacs-3.3.1/bin/ folder
- did you compile & install everything correctly?
- did you source the gromacs 3.3.1 correctly???
Good luck
Floris
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