OZGE ENGIN wrote:
Hi gromacs-users,
I have a problem with the simulation of a capped lysine residue.I followed the
tutorial step by step. I added 1 Cl ion into my system in order to neutralize
the overall charge by using genion, and then used the grompp command and I
encountered with the following error:
Program grompp, VERSION 3.3.1
Source code file: toppush.c, line: 891
Fatal error:
moleculetype CU1+ is redefined
What is the problem?
it is what it says...
probably you have include ions.itp twice.
Thanks in advance
Ozge Engin
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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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