[gmx-users] Does GMX compute coulomb interaction between oxygen and hydrogen in SPC water model?
Hi all gromcas users: In SPC water model, it only has oxygen-oxygen VDW interactons. So is it the same with coulomb interatctions? Thanks for any advice in advance! 2009-10-24 Ji Xu The State Key Laboratory of Multiphase Complex System Institute of Process Engineering Chinese Academy of Sciences Beijing 100190, China Tel.: +86 10 8262 3713-804 ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
Re: [gmx-users] Does GMX compute coulomb interaction between oxygen and hydrogen in SPC water model?
xuji wrote: Hi all gromcas users: In SPC water model, it only has oxygen-oxygen VDW interactons. So is it the same with coulomb interatctions? No, otherwise it would be a one-point water model. All SPC water atoms have partial charges - see spc.itp. Mark ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
