[gmx-users] HB3 ATOM
Mahdi Sobati Nezhad
mahdisobatinezhad at gmail.com
Mon Sep 3 20:24:18 CEST 2018
Yes. Now my problem is HG in residue CYS that I don't know rename to what!!!
On Mon, 3 Sep 2018 22:49 Justin Lemkul, <jalemkul at vt.edu> wrote:
> On 9/3/18 6:27 AM, Mahdi Sobati Nezhad wrote:
> > Hi
> > my pdb file named HB2 and HB3 but .rtp file in my force field named
> > HB2. and so on error "atom HB3 in residue xxx was not found in rtp entry"
> > can I rename HB2 to HB1 and HB3 to HB2 ?
> > or any idea?!
> Have you tried it?
> Justin A. Lemkul, Ph.D.
> Assistant Professor
> Virginia Tech Department of Biochemistry
> 303 Engel Hall
> 340 West Campus Dr.
> Blacksburg, VA 24061
> jalemkul at vt.edu | (540) 231-3129
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * 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-request at gromacs.org.
More information about the gromacs.org_gmx-users