[gmx-users] How to get md_0_2. prefix for all output files during entexding production run, like got during first run md_0_1.

Sangita Kachhap sangita at imtech.res.in
Sun May 13 18:52:13 CEST 2012


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.


With regards
Sangita Kachhap
SRF
BIC,IMTECH
CHANDIGARH

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