<P>
hi ,<BR>
the option tpbconv -s -f -o run2.tpr -extend 1.0 worked fine,and created run2.tpr.but it gives a warning message<BR>
WARNING: The simulation uses pressure and/or temperature coupling,<BR>
the continuation will only be exact when an energy file is supplied.<BR>
I gave the energy fine *.edr <BR>
tpbconv -s -f -e intial.edr -o .tpr -extend 1.0.now it didnot create <BR>
<BR>
a .tpr file and gives error message as <BR>
Fatal error: Could not find energy term named 'Pcoupl-Mu-XX' <BR>
<BR>
can anyone say whats wrong? and please suggest remedy.and one general doubt why should not .gro file of previous be used to create a new tpr using grompp and then use this for next mdrun.(whats wrong).<BR>
<BR>
<BR>
On Fri, 26 Mar 2004 Tsjerk Wassenaar wrote :<BR>
><BR>
>Hi,<BR>
><BR>
>Use tpbconv -s -f -o -extend time<BR>
>Where time is the time you want to add to your simulation (ps)<BR>
><BR>
>Cheers,<BR>
><BR>
>Tsjerk<BR>
><BR>
>
</P>
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