[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

[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