Re: [gmx-users] About script for free energy calculation

2013-08-27 Thread Mark Abraham
On Tue, Aug 27, 2013 at 7:05 PM, vidhya sankar wrote: > Dear Justin thank you for your Previous reply > I am following your methane/water free energy tutorial > I have Generated All .mdp files wiht Different LAMBDA value But When I Run > job using Your Job.sh script > in usr/local/gromacs

[gmx-users] About script for free energy calculation

2013-08-27 Thread vidhya sankar
Dear Justin thank you for your Previous reply   I am following your methane/water free energy tutorial I have Generated All .mdp files wiht Different LAMBDA value But When I Run job using Your Job.sh  script  in usr/local/gromacs4.6.2/bin I have Received the Following error  ( I ma running th