[gmx-users] a question about dihedraltype
lulanyuan at msn.com
Fri Oct 1 20:08:01 CEST 2004
I have a question about the directive [dihedraltype] in *.top file. What can I do if I want to define a dihedraltype as a function of all 4 atoms in the dihedral? In the manual it says that only two atom names was needed (X-A-B-X). What if I want to define a dihedral type (C-A-B-D)? Here the dihedral type depends on all four atoms instead of only inner two.
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