[gmx-users] xmgrace

2011-07-08 Thread manoj gadhwal
Hello to all, I am using the Gromacs 4.5.3 in Centos-5 and I need the xmgrace or Grace for plotting the graph for output file . But when I tried to install grace by the option *'yum install grace*', there was no file to install. and I am not able to install properly by the grace

[gmx-users] gnuplot

2011-07-08 Thread manoj gadhwal
Hello to all, I am using the Gromacs 4.5.3 in Centos-5. When I tried to open the* .xvg* file by gnuplot it shown the error. I am attaching the gnuplot error and the data of .xvg file. It show that line 9:invalid character. Please help me. Thanks in advance. * gnuplot error:* gn

[gmx-users] Permeability coefficient

2011-09-07 Thread manoj gadhwal
Dear friends, I am using the GROMACS-4.5.3 for molecular dynamics as described by* Justin Lemkul in Tutorial 2: KALP15 in DPPC. *I want to calculate the Permeability Coefficient for Ligand in DPPC so please help me. -- Manoj Kumar Gadhwal (M. Pharma), PhD Schloar, Prin. K. M. Kundnani College of Ph