why not to pick up a QM technique to study the "interaction"? Dr. Vitaly V. Chaban
On Thu, Jul 4, 2013 at 3:58 AM, Jong Wha Lee <jongwh...@postech.ac.kr>wrote: > 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 > -- 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
