sudheer babu wrote:
Hi gmx-users,
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 other analysis.
It seems grompp should use only when change in the parameters or else
can use tpbconv for extending the run
am i right?
If you are seeing different results, we can only assume that you've got
something inconsistent between the two systems. Without seeing the exact
commands you fed grompp and tpbconv, as well as the contents of the .mdp file
passed to grompp, it is hard to say.
-Justin
Thanks alot for your any suggestions
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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