[gmx-users] Error in hdb file ffG43a1.hdb

Ms. Aswathy S aswathys at amritapuri.amrita.edu
Sat Jun 13 11:09:33 CEST 2009

Please ignore this post. I rectified the problem by using the GMXLIB export.

Thank you very much for all the support


Dept. Biotechnology
Ext. 3108

----- Original Message -----
From: "Ms. Aswathy S" <aswathys at amritapuri.amrita.edu>
To: "gmx-users" <gmx-users at gromacs.org>
Sent: Saturday, June 13, 2009 12:00:11 PM GMT +05:30 Chennai, Kolkata, Mumbai, New Delhi
Subject: [gmx-users] Error in hdb file ffG43a1.hdb


I have upgraded my gromacs version to 3.3.3 from 3.2.1. When I tried to run the pdb2gmx i got the follo: error. From the previous post I guess that i should edit this ffG43a1.hdb. but my input is a protein file so ..so is this necessary or any other way to rectify this problem???

Program pdb2gmx_mpi, VERSION 3.3.3
Source code file: h_db.c, line: 95

Fatal error:
Error in hdb file ffG43a1.hdb:
Wrong number of control atoms (2 iso 3) on line:
        1       1       N       -C      CA

Thanks in advance,
Dept. Biotechnology
Ext. 3108
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