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error message 'Topology include file "martini.itp" not found'
- rjt
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3 years 7 months ago #8722
by rjt
error message 'Topology include file "martini.itp" not found' was created by rjt
Hi,
I am following the martini protein tutorial and I am currently trying to minimize my protein. However, I encountered the following message,
Program: gmx grompp, version 2020.2
Source file: src/gromacs/gmxpreprocess/gmxcpp.cpp (line 297)
Fatal error:
Topology include file "martini.itp" not found
I am wondering does anyone know how I could fix it? Thanks!
I am following the martini protein tutorial and I am currently trying to minimize my protein. However, I encountered the following message,
Program: gmx grompp, version 2020.2
Source file: src/gromacs/gmxpreprocess/gmxcpp.cpp (line 297)
Fatal error:
Topology include file "martini.itp" not found
I am wondering does anyone know how I could fix it? Thanks!
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- vainikka
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3 years 7 months ago #8726
by vainikka
Replied by vainikka on topic error message 'Topology include file "martini.itp" not found'
Hi,
In general we very strongly encourage users to ask GROMACS related questions in their respective forum(s). If you have trouble with basic concepts (such as topology files etc.) then it is best that you first complete a few general GROMACS tutorials and return to Martini tutorials after that.
Justin Leimkul has set up a bunch of excellent tutorials you can find here:
www.mdtutorials.com/gmx/
A second note, google and the gmx mailing list are your friends when it comes to error messages. Most of the problems you will encounter will already have an existing thread with the correct answer.
In general we very strongly encourage users to ask GROMACS related questions in their respective forum(s). If you have trouble with basic concepts (such as topology files etc.) then it is best that you first complete a few general GROMACS tutorials and return to Martini tutorials after that.
Justin Leimkul has set up a bunch of excellent tutorials you can find here:
www.mdtutorials.com/gmx/
A second note, google and the gmx mailing list are your friends when it comes to error messages. Most of the problems you will encounter will already have an existing thread with the correct answer.
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- johnd
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3 years 5 months ago #8755
by johnd
Replied by johnd on topic error message 'Topology include file "martini.itp" not found'
Kind of late, but I just thought I'd drop a note in.
This error is because the martinize version in the tutorial (v2.6) outputs the topology file with an #include statement for "martini.itp" instead of "martini_v2.2.itp" (which is the actual file included in the tutorial).
This error is because the martinize version in the tutorial (v2.6) outputs the topology file with an #include statement for "martini.itp" instead of "martini_v2.2.itp" (which is the actual file included in the tutorial).
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