CYL> Would you please explain "the short-range potential saturated"?
Usually it is the same as Lennard-Jones potential. The each side of your box must be two times larger (see also about cut-off) than the distance where the value of the short-range potential is (very close to) zero. In fluids, this value is from 1.0 nm to 1.4 nm, for water it's even less. See force field specifications for the exact models you use. CYL> What is the short-range potential? CYL> Also, how to measure the short-range potential? CYL> Thank you CYL> Lin CYL> On 9/22/08, Vitaly Chaban <[EMAIL PROTECTED]> wrote: >> > Hi >> > how many water molecules used to run MD? >> > >> > what is the criteria for this? >> >> >> So many to make your short-range potential saturated. >> -- Vitaly V. Chaban School of Chemistry National University of Kharkiv Svoboda sq.,4, Kharkiv 61077, Ukraine email: [EMAIL PROTECTED] skype: vvchaban tel.: +38-097-8259698 _______________________________________________ gmx-users mailing list [email protected] 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
