[gmx-users] Problem in genion
ramya at research.iiit.ac.in
Wed Jun 6 15:47:04 CEST 2007
OS is fedora 5
Compiler is cpp
how can this be sorted out??
>> I am facing a problem while trying to neutralize my molecule.
>> My molecule is a protein and after writing input file[.tpr] on seeing a
>> charge of 6.00000e+ i am trying to neutralize it by using 6 CL- ions.
>> i have tried 'genion' for small molecules it was running fine,but for
>> molecule it has been running since 2 days.
>> The only message being shown is that only 1 CL- has been introduced.Can
>> you please help me out with the necessary steps needed.
>> I am actually new to Gromacs,so please help me get through and if
>> suggest some good material.
> sounds like a compiler problem that has been fixed. what OS and copiler
> are you using?
> 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
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