[gmx-users] problem with tpbconv

[David van der Spoel]

On Wed, 2002-09-18 at 18:29, s8026264 at sepahan.iut.ac.ir wrote:
> Dear All
> 
> I killed mdrun,then I used tpbconv and generated new topol.tpr from previous
> topol.tpr and traj.trr,but I have a problem:
> summation of last step in md.log and last step in previous md.log isn\'t equal to
> nsteps in grompp.mdp.(e.g nsteps=5000 ,2700(last step in md.log)+2150(last step
> in previous md.log)=4850#5000)
if nothing else iw rong I suggest you use one of the additional options
of tpbconv:
-until or -extend
> 
> Sincerely Yours
> 
> Mojtaba
> 
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-- 
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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