[gmx-users] cyclic peptides

[David van der Spoel]

Giacomo Bastianelli wrote:
> Hi Tsjerk,
> 
> I have just fixed the problem of cyclic (manually deleted some bonds
> that gromacs added...), I got everything ready for the minimization
> step after genbox.
> I run it and it says:
> 
> Program grompp, VERSION 3.3
> Source code file: statutil.c, line: 549
> 
> Fatal error:
> Double command line argument -c
> 
> Is there anything wrong with my inputs?
> 
> thanks a lot
> 
yes. it is exactly what it says.

-- 
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
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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