Re: [gmx-users] DNA-Protein complex

2020-01-28 Thread aayattimg
> I think you don`t need to build topology separately. Using appropriate force field will do. For protein-DNA simulation amber99sb works well. Amber99bsc1.ff is a new module available for gromacs users. You may use them or it is always better to refer literature to use the more appropriate

[gmx-users] gmx_topolbuild error

2020-01-09 Thread aayattimg
I am getting error in topolbuild: Fatal error. Source code file: readmol2.c, line: 693 Atom 1 (O5') has 2 connections when allowed 0 I have used the command ./topolbuild -dir /home/aayatti/topolbuild1_2_1/dat/leap/parm -ff amber -n tripos97 .mol2 file that I am using is as follows: @MOLECULE QCH