On 2010-06-16 00.50, Víctor Bahamonde wrote:
Dear users
I have created a .itp file with the program TopolGen, published in the
website of GROMACS. to review the angles, I see that there are
redundancies. This will affect the results of molecular dynamics
calculation?. What should I do with them? (delete?)
Yes. You have to review any such topology carefully. Please check
whether all angles and dihedrals (in particular impropers) are present
as well.
Thanks in advance!
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