Hello, I am trying to perform peptide simulation using TFE-water system. I did lot of literature search and according carried out NVT for 32ns followed by NPT 10ns simulation for TFE-water system.
I found that the TFE get accumulated in the center of the box and water molecules surround them. The system is no more homogeneous. Is this normal or something is going wrong? Any help regarding this is appreciated. -- Archana Sonawani-Jagtap Senior Research Fellow, Biomedical Informatics Centre, NIRRH (ICMR), Parel Mumbai, India. 9960791339 -- 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 [email protected].
