[gmx-users] HELP

[David]

On Thu, 2005-03-24 at 11:24 +0800, xiongxuqiong wrote:
> when I run gromacs,my system crashed,i want use tpbconv to continue:
> tpbconv -s -f -e -o,but the system shows:
> Fatal error: Could not find energy term named 'Pcoupl-Mu-XX'
> However, if i use tbconv -s -f by GROMACS3.0.5, it can run again, but
> it lost some information such as temperature/pressure
> What should i do?
> lOOK FORWARD TO YOUR REPLY,THANKS!
You are mixing gromacs versions it seems. Gromacs 3.0.5 tpr files are
too old for tpbconv to make continuation files. Use grompp -t and switch
to gromacs-3.2.1
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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