[gmx-users] free energy and UB term

lq z lqz.fsu at gmail.com
Thu Dec 15 21:22:00 CET 2011


Dear GMXers,

I'm trying to manually add two sets of Urey-Bradley terms to the topology
file (in [angle] entry with type 5). However, it seems it is not allowed. I
got the following error:

Incorrect number of parameters - found 8, expected 4 or 4 for U-B.

Is it true that I can't do this in gromacs? Thanks.

Luke
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111215/620c2756/attachment.html>


More information about the gromacs.org_gmx-users mailing list