[gmx-users] regarding g_covar

2012-10-05 Thread R.Vidya Rajendran (10PHD013)
Hello Everybody,

I am using g_covar with -xpmc flag in-oder to generate matrix of
atomic correlation coefficients. At present I am using g_covar script
given by Ran, which I downloaded from gromacs user modified script
pool.

Since Ran's script is for gromacs 3.3.3 and it not accept .trp input
from upgraded version (eg 4.5.5).

Anybody have upgraded g_covar which can do the same job.


regards
Vidya
-- 
gmx-users mailing listgmx-users@gromacs.org
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 gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists


[gmx-users] Regarding g_covar

2012-10-04 Thread R.Vidya Rajendran (10PHD013)
Hello Everybody,

I am using g_covar with -xpmc flag in-oder to generate matrix of
atomic correlation coefficients. At present I am using g_covar script
given by Ran, which I downloaded from gromacs user modified script
pool.

Since Ran's script is for gromacs 3.3.3 and it not accept .trp input
from upgraded version (eg 4.5.5).

Anybody have upgraded g_covar which can do the same job.


regards
Vidya
-- 
gmx-users mailing listgmx-users@gromacs.org
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 gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists