[gmx-users] a question about dihedraltype

Lanyuan Lu lulanyuan at msn.com
Fri Oct 1 20:08:01 CEST 2004


Hello All,
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.
Thanks.
Lanyuan
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20041001/5d00e20c/attachment.html>


More information about the gromacs.org_gmx-users mailing list