Hi Dimitry, D> field I`m using. Can I use spc with OPLS AA? I think you can.
As for me when simulating water I prefer SPC/E but it's only my personal taste. Best, Vitaly D> Thank you for answering. D> Nevertheless I believe that each model is based on appropriate force D> field. As I learned tip3p is based on OPLS AA and this is exactly the D> field I`m using. Can I use spc with OPLS AA? D> Thank you D> On Wed, 2008-12-17 at 22:49 +0200, Vitaly Chaban wrote: >> > what solvent topology do you use in your simulations? I`ve always used >> > spc and had no problems with it. Though recently I`ve heard that tip3p >> > is better. What do you suggest? What do you use? >> >> I think it much depends on what exact properties you calculate. You >> may calculate something very specific... I can >> suggest you a lot of water models but I'm sure none of them is much >> better than another ones. I don't consider that tip3p is the best one. >> >> >> Vitaly >> =============================== Vitaly V. Chaban, Ph.D.-student School of Chemistry V.N. Karazin Kharkiv National University Svoboda sq.,4, Kharkiv 61077, Ukraine email: cha...@univer.kharkov.ua,vvcha...@gmail.com skype: vvchaban, mob.: +38-097-8259698 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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
