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How to using g_fg2cg in Gromacs 4.5.5
- thu nguyen
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11 years 4 months ago #1311
by thu nguyen
How to using g_fg2cg in Gromacs 4.5.5 was created by thu nguyen
Dear All,
I want to convert coarse-grained representation into fine-grained representation by using g_fg2cg.
But does it only work in version 3.3.1 ? Are there any method that can use it in version 4.5.5 ?
Thank All !
Have a nice weekend !
KT
I want to convert coarse-grained representation into fine-grained representation by using g_fg2cg.
But does it only work in version 3.3.1 ? Are there any method that can use it in version 4.5.5 ?
Thank All !
Have a nice weekend !
KT
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11 years 4 months ago #1314
by tsjerk
Replied by tsjerk on topic How to using g_fg2cg in Gromacs 4.5.5
Hi KT,
We just finished (most) work on a new method for reverse transformation, which does not rely on a specific version of Gromacs. If you want, you can drop me a line explaining a bit more of what you need to do and what schedule you're on. It might do to send me a few systems to map back to atomistic.
Cheers,
Tsjerk
We just finished (most) work on a new method for reverse transformation, which does not rely on a specific version of Gromacs. If you want, you can drop me a line explaining a bit more of what you need to do and what schedule you're on. It might do to send me a few systems to map back to atomistic.
Cheers,
Tsjerk
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11 years 4 months ago #1317
by thu nguyen
Replied by thu nguyen on topic How to using g_fg2cg in Gromacs 4.5.5
Thank Tsjerk very much ! :-)
I am so wooden. I don't see anything until sombody tell me :-)
Merry Christmas !
KT
I am so wooden. I don't see anything until sombody tell me :-)
Merry Christmas !
KT
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11 years 4 months ago #1319
by thu nguyen
Replied by thu nguyen on topic How to using g_fg2cg in Gromacs 4.5.5
Hi Tsjerk,
I am practising tutorial "protein in water". I have CG structure file after simulating with Martini forcefiled. I want to convert it to fine-grained representaion, then compare with fg file which given by the tutorial.
Cheere,
KT
I am practising tutorial "protein in water". I have CG structure file after simulating with Martini forcefiled. I want to convert it to fine-grained representaion, then compare with fg file which given by the tutorial.
Cheere,
KT
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