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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