On 5/13/12 12:52 PM, Sangita Kachhap wrote:
Hello all
I am running GROMACS Tutorial: KALP15 in POPC
I have compeleted production run 1 ns now I want to extend it for next 1 ns.
For this I have used commond:
tpbconv -s md_0_1.tpr -extend 1000 -o md_0_2.tpr
mdrun -s nmd_0_2.tpr -cpi md_0_1.cpt
I am getting files are:
ener.edr
md.log
state.cpt
state_prev.cpt
traj.trr
traj.xtc
confout.gro
During first 1 ns production I have got all files with prefix md_0_1.
How I can get it (prefix md_0_2. for all the above files)in next 1 ns production
run.
Anyone please suggest.
Note the use of -deffnm in the tutorial to set default output names. If you
want your files to be called "md_0_2.(extension)" then you need to run:
mdrun -deffnm md_0_2 -cpi md_0_1.cpt
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
