[gmx-users] Fwd: (no subject)

[Kingsley Theras Primus Dass .]

---------- Forwarded message ----------
From: "Kingsley Theras Primus Dass ." <105726107 at gms.tcu.edu.tw>
Date: 3 Nov 2016 11:42 a.m.
Subject: [gmx-users] (no subject)
To: <gromacs.org_gmx-users at maillist.sys.kth.se>
Cc:

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
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