[gmx-users] searching .tpr for position restraints
David van der Spoel
spoel at xray.bmc.uu.se
Fri Nov 16 20:36:56 CET 2001
On Fri, 16 Nov 2001, David L. Bostick wrote:
>define = -DRES_CL
>
>in the .mdp file, and gmxdump the resulting .tpr, what key word should I
>search for in order to find the position restraint? Where is this info
>located?
gmxdump -s topol.tpr | less
/POS
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
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