Hello, I have a system with 128 emi (cations) and 128 Cl (anions). I run the simulation for 20 ns.
I want to save snap-shot at 5ns, 10ns, 15ns and 20ns. I don't want to save snap shot for 128 ion-pairs. How can I take average over 128 ion pairs and save snap shot for a single ion pair. Basically I want to use classical md geometry for quatum chemical calculation. I am using Gromacs 4.0.7 version. Thanks Nilesh -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
