rashi parihar wrote:
Hi all.
I am doing dynamics studies of protein-ligand dynamics.When I am running
grompp command error is coming atomtype SDMSO NOT FOUND . I checked in
drg.itp file
[ atoms ]
; nr type resnr resid atom cgnr charge mass
1 OM 1 LIG OXT 1 -0.758 15.9994
2 C 1 LIG C 1 0.362
hi, i am simulating a membrane protein inside dppc bilayer and in this regard i
am following justin's tutorial. but i ma facing a problem in running
grompp...whenever i run it is giving error
Program grompp, VERSION 4.0.5
Source code file: grompp.c, line: 362
Fatal error:
number of
--- On Mon, 8/6/09, Justin A. Lemkul jalem...@vt.edu wrote:
From: Justin A. Lemkul jalem...@vt.edu
Subject: Re: [gmx-users] problem in running grompp
To: Discussion list for GROMACS users gmx-users@gromacs.org
Date: Monday, 8 June, 2009, 4:47 PM
Samik Bhattacharya wrote:
hi
i am simulating
Samik Bhattacharya wrote:
Thank you Justin for the answar. but now how to solve it? where
should i make changes to correct that? pls let me know what to do...
waiting for your answar
Thank you again..
CA is not an alpha-carbon, it is a ffgmx atom type. So, therefore,
hi
i am simulating a membrane protein in POPC bilayer and for that i am following
justin's tutorial.it's a nice tutorial and is really helpful. but i'm facing
some problems in running the grompp command. after the solvation when i am
going to run grompp, it is generting an error as follows
Samik Bhattacharya wrote:
hi
i am simulating a membrane protein in POPC bilayer and for that i am
following justin's tutorial.it's a nice tutorial and is really helpful.
but i'm facing some problems in running the grompp command. after the
solvation when i am going to run grompp, it is
Hello,
when I run grompp I get the following error message always. Whoever has a
correct fix to get rid of this error message and get the actual result, Please
suggest.
Thanking you
Dr. Victor A. Doss
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