[gmx-users] cyclic peptides

[Giacomo Bastianelli]

Hi David,

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...
Giacomo

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.
>