[gmx-users] cyclic peptides
gbastian at pasteur.fr
Fri Oct 20 13:50:58 CEST 2006
is there an error in the souce code file????
ps.sorry if the question is stupid but I am very
naive to bioinformatic as well...
David van der Spoel wrote:
> 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.
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