Thank you Mark and Vitaly.
I understand that simulation of protons in the solution phase is unphysical. Though I haven't mentioned beforehand, I'm actually trying to simulate noncovalent interaction between a proton and a carbonyl oxygen in the gas phase. Could you give me any ideas how I may simulate this? Thank you very much Jong Wha -- 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
