[gmx-users] About extend the run,,

[rama david]

Hi Gromacs Friends,

I run a Production run with saving the  co-ordinates and velocity
after every 500 steps for 20ns..
Now I want to extend the run but with saving the  co-ordinates and velocity
after every 1000 steps for next 30ns (total 50ns)

To perform these task I am using following command
1. grompp -f <New mdp file just change in  saving output>  -t <.cpt>  -c
<.gro file(gro file from position restrained run )>  -o new.tpr


2. tpbconv -s new.tpr -0 extend.tpr  -extend 30000

3. mdrun -v -deffnm extend  -cpi <.cpt> -append

Is these approach is correct??

Second query;

To rerun the crash run, users give .cpt file as input to -mdrun,
My query is, There are two cpt file a) pre.cpt  b) .cpt ,
So which one has to given as input???

All suggestion are welcome...

With Best Wishes,
Rama david
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120602/5b689ebc/attachment.html>