[gmx-users] error in g_wham
Arunima Shilpi
writetoash28 at gmail.com
Fri Feb 7 12:18:13 CET 2014
Hello sir,
I followed the tutorial for umbrella_sampling to calculate Potential Mean
Force (PMF) between the protein and ligand.
While I followed the comand
g_wham -it tpr-files.dat -if pullf-files.dat -o -hist -unit kCal
It shows the error as Segmentation fault (core dumped)
I request you to kindly guide to debug the error.
Regards
Arunima
More information about the gromacs.org_gmx-users
mailing list