[gmx-users] K+ ion missing from gromos96ff in ions.itp file

Dean Cuebas deancuebas at missouristate.edu
Sat Mar 7 21:46:46 CET 2009


Dear gmxusers,

I am investigating intracellular proteins and NA+ ain¹t the answer.

Why is there no definition for K+ for GROMOS96 ff in the ions.itp file???
I¹m using gromacs3.3.1

Yet it¹s in the GROMACS ff and OPLS sections of the ions.itp file.

Is there a solution to this if I am using GROMOS96 force fields?

Thanks in advance.

Dean

-- There are two ways to look at life. One is as though nothing is a
miracle; the other is as though everything is.
-Albert Einstein
Dr. Dean Cuebas dac012f at missouristate.edu,
Ph 417-836-8567 FAX 417-836-5507
Dept. of Chemistry, Missouri State University
Springfield, Missouri 65897

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