[gmx-users] Verlett buffer drift

2013-10-04 Thread Venkatesh Ramakrishnan
Hi all I am running a MD simulation using GPU version of GROMACS 4.6 and I am asked to use Verlett cut-off scheme.  I am new to GPU computing and I did not find much information about the scheme in the manual. I would very thankful if anyone who has used the Verlett scheme can let me know

[gmx-users] A beginner's question ...

2013-04-18 Thread Venkatesh Ramakrishnan
Dear All I am new to GROMACS, I have the following question: What is the difference between Pres. DC and Pressure in g_energy analysis ? Thanks in advance Venkatesh -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the