[gmx-users] problems with pdb2gmx command
tsjerkw at gmail.com
Thu Jan 22 19:34:06 CET 2009
Check the output from pdb2gmx.
It works with the tutorial files, so the problem is with your input,
not with the program.
On Thu, Jan 22, 2009 at 5:39 PM, <jaharvey at chem.umass.edu> wrote:
> I'm having issues with the pdb2gmx command in gromacs. It does not seem to be
> creating the .gro file for some reason. When I enter the command:
> pdb2gmx -f trial1.pdb -p trial1.top -o trial1.gro
> I only end with a trial1.top file but no trial1.gro file. However, the pdb2gmx
> command appears to work fine with the tutorial files that the developers have
> provided. Any suggestions? Thanks in advance.
> Jacob A. Harvey
> jaharvey at chem.umass.edu
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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