hello,
OS is fedora 5
Compiler is cpp
how can this be sorted out??
Thanks.
C.RAMYA wrote:
>> Hello,
>>
>> 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.
>> when
>> i have tried 'genion' for small molecules it was running fine,but for
>> this
>> 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
>> possible
>> suggest some good material.
>>
> sounds like a compiler problem that has been fixed. what OS and copiler
> are you using?
>
> --
> 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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