On 4/25/12 12:45 PM, vinee2here wrote:
Hi all!!
I am running a MD simulation of a protein modelled by using modeller...and I
am getting an error in the grompp command.
The error reported was : Number of coordinates in coordinate file
(z_b4em.gro) does not match that of topology file (z.top). W
Hi all!!
I am running a MD simulation of a protein modelled by using modeller...and I
am getting an error in the grompp command.
The error reported was : Number of coordinates in coordinate file
(z_b4em.gro) does not match that of topology file (z.top). We are however
not able to run the nohup com
- Original Message -
From: tekle...@ualberta.ca
Date: Monday, June 28, 2010 6:01
Subject: [gmx-users] Error in MD simulation
To: jalem...@vt.edu, Discussion list for GROMACS users
> Dear Gromacs users,
>
> First I have to mention few points. I read all the LINCS error
>
Dear Gromacs users,
First I have to mention few points. I read all the LINCS error and
tried a number of options.
1, Minimized well the system. and the Epot and Max Forces are very resonable.
Steepest Descents converged to Fmax < 100 in 379 steps
Potential Energy = -1.0573750e+05
Maximum fo
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