Florian Haberl wrote:
hi,
On Friday 19 January 2007 15:25, sangeeta wrote:
Dear Sir,
I have three questions,
My protein has +2 charge, so I added two Cl atoms through the program
genion and subsequently edited the topol.top file, in spite of that while
running mdrun it gave an error that "FATAL error, CL atom type can not be
found",I can not understand the problem.
You have to add it to your .mdp file, too.
I think not. The problem here is that your forcefield doesn't have a CL
atom type defined. You will need to #include "ions.itp" in your .top
file, and that will need to have a correct definition for Cl- for your
force field and match the atom name in your .top file.
Mark
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