[gmx-users] Understanding about grompp and tpbconv
sudheer.pbm07 at gmail.com
Fri Sep 5 14:21:26 CEST 2008
I have doubt about grompp and tpbconv commands. I am telling like this
If I run grompp each time with interval of 1ns until 10ns md simulations,
considered as one system. By using tpbconv eachtime with same interval time
1ns unitl 10ns simulation considered as a another system. Both of these
systems contain same molecules,number of atoms,parameters except using
grompp and tpbconv. Now these two systems make any difference in RMSD and
It seems grompp should use only when change in the parameters or else can
use tpbconv for extending the run
am i right?
Thanks alot for your any suggestions
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