[gmx-users] Various errors in pulling simulations

2015-02-20 Thread Tim Stauch
that I can unfold my protein. Best wishes, Tim Stauch -- 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

[gmx-users] Modifying the protein chain in GROMACS

2014-09-09 Thread Tim Stauch
Dear all, I am currently trying to “mutate a protein by changing its backbone directly, i.e. I am not interested in changing a specific amino acid against another (I’ve found out that you can use VMD or Pymol for this purpose), but I am rather interested in changing certain atoms in the