[gmx-users] Convert an unnormal residues contained protein from all-atoms model to coarse grained model.

Du Jiangfeng (BIOCH) j.du at maastrichtuniversity.nl
Mon Sep 12 09:57:37 CEST 2011

Hi gmx-users,

I am trying to a study of GLA domain simulation in membrane by using coarse gained models. There is a problem coming from converting all-atom model to coarse gained because GLA domain contains some unusual residues (10 glutamate residues were modified by carboxylation) and also Calciums are included. Does anyone can figure it out? or Any suggestion would be appreciated.

Best Wishes,

    Jiangfeng Du, PhD Student
    Cardiovascular Research Institute Maastricht
    Department of Biochemistry
    P.O. Box 616
    Mobile: +31-681741859
    FAX: +31-43-3884159
    6200 MD Maastricht
    The Netherlands

More information about the gromacs.org_gmx-users mailing list