- Original Message -
From: Moeed
Date: Friday, August 27, 2010 2:21
Subject: [gmx-users] making index file
To: gmx-users@gromacs.org
> Hello Justin,
>
> Please let me explain my naive procedure to make index file so that you can
> make comment. I have created the to
Hello Justin,
Please let me explain my naive procedure to make index file so that you can
make comment. I have created the top file for a single solvent molecule.
Then removed [system] , [molecule] directives as well as "#ffgmx.itp". The
[molecule type] is named 'solvent''. I got a sample itp file
jojo J wrote:
Hello,
I am trying to make two different groups from residues below. one under
the name Solute (residues a and b) and the other for solvent (residue c,
SOL). The only way I know now is to do this by splitting the list of
atom numbers [system] (default index file), from 1 to 3
Hello,
I am trying to make two different groups from residues below. one under the
name Solute (residues a and b) and the other for solvent (residue c, SOL).
The only way I know now is to do this by splitting the list of atom numbers
[system] (default index file), from 1 to 362 and creating a new
Moeed skrev:
Hi,
could you guide me how one can create .ndx file format. I thought it
would be accessible in library directory like rtp ..files.
Thanks,
Use make_ndx to create a ndx file. The format is pretty straightforward
and the files themselves quite readable. Not enoyable, mind you, bu
Hi,
could you guide me how one can create .ndx file format. I thought it would
be accessible in library directory like rtp ..files.
Thanks,
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