[gmx-users] (no subject)

[Kingsley Theras Primus Dass .]

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:
/home/hsulab00/Documents/gromacs-5.1/src/gromacs/gmxpreprocess/resall.c,
line: 486

Fatal error:
in .rtp file in residue TYS at line:
     1         O     1  TYS       O     1   -0.682  15.9994




Thank you