[gmx-users] (no subject)
Kingsley Theras Primus Dass .
105726107 at gms.tcu.edu.tw
Thu Nov 3 04:42:25 CET 2016
Hello users !
I want to Add SO3- to tyrosine residue of my protein. I generated the
topology file for SO3- (TYS) residue using PRODRUG server and incorporated
that topology into my topology. I am using GROMACS45a3 force field . but
still when i try running pdb2gmx , it shows error.
could you please suggest some solution for it .
Program gmx pdb2gmx, VERSION 5.1
Source code file:
in .rtp file in residue TYS at line:
1 O 1 TYS O 1 -0.682 15.9994
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