Triguero, Luciano O wrote:
Hi Everyone,
I need your help in the following matter. How do I generate a .gro file from a pdb file where I added an oxygen atom to
one of the residue?
I get the following error message when I run pdb2gmx:
=======================================
Program pdb2gmx, VERSION 3.3.1
Source code file: resall.c, line: 438
Fatal error:
Residue '' not found in residue topology database
========================================
you probably have made an error in the format of the file.
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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