Den 2020-03-15 kl. 20:53, skrev Afsane Farhadi:
hi all I generated a box 4×4×4 (nm) with 100 molecules methyldiethanolamine by
insert-molecules , forcefield is opls . after energy minimization the potential
energy decreased but had a positive value . is my simulation wrong ? help me
please
Sent from Yahoo Mail on Android
No. I just answered a similar question.
--
David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
http://www.icm.uu.se
--
Gromacs Users mailing list
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a
mail to gmx-users-requ...@gromacs.org.
