priya thiyagarajan wrote:
hello sir,
Thanks for your kind reply..
i tried like what you suggest..
i used the command
mdrun -s md60.tpr -cpi state.cpt -o md60.trr -x traj.xtc -e md60.edr -c
md60.gro -g md60.log
to extend my simulation..
but again i got error as follows
Reading file
hello sir,
Thanks for your kind reply..
i tried like what you suggest..
i used the command
mdrun -s md60.tpr -cpi state.cpt -o md60.trr -x traj.xtc -e md60.edr -c
md60.gro -g md60.log
to extend my simulation..
but again i got error as follows
Reading file md60.tpr, VERSION 4.5.5 (single pre
On 25/02/2012 6:45 PM, priya thiyagarajan wrote:
hello sir,
Thanks for your kind reply..
one small doubt sir.. its enough to give*mdrun -s md.tpr -cpi state.cpt
*
so that it ll automatically append my new data to the respective file ..
Only if you are happy with the default filenames.
Mark
hello sir,
Thanks for your kind reply..
one small doubt sir.. its enough to give* mdrun -s md.tpr -cpi state.cpt
*
so that it ll automatically append my new data to the respective file ..
Thanking you,
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