[gmx-users] g_membed deprecated?
mark.j.abraham at gmail.com
Fri Feb 8 14:56:25 CET 2013
On Wed, Feb 6, 2013 at 6:01 PM, Albert <mailmd2011 at gmail.com> wrote:
> On 02/06/2013 05:37 PM, Namita Dube wrote:
>> There must be some kind of problem with your system.
>> have you tried using :
>> mdrun -s input.tpr -membed membed.dat -o traj.trr -c membed.pdb -e
>> -nt 1 -cpt -1 -mn index.ndx -mp merged.top -v -stepout 100
>> what it says?
> it stopped with errors.
> not eough space for XTC?
> However, when I run it in gromacs-4.5.6 by g_membed, it finished well.
g_membed was removed and re-implemented into mdrun, like the original
message said. Please file an issue at http://redmine.gromacs.org and attach
the .tpr that works with 4.5.6 and fails with 4.6, a description of what
you are doing, and anything else relevant.
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