Dhananjay wrote:
Hello all,
while pdb2gmx on my pdb I got following error
-------------------------------------------------------
Program pdb2gmx, VERSION 3.3
Source code file: resall.c, line: 438
Fatal error:
Residue 'MSE' not found in residue topology database
Will it be possible to add MSE in topology database of Gromacs?
If yes then how to add it ?
if anyone have any other solution please tell me....
chapter 5 in the manual
and plz search the mailing list
Thanking you in advance.....
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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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