[gmx-users] About "Apply Multiple bonded interactions" for dihedral potential definition
wuyb02 at gmail.com
Sat Jan 23 04:31:50 CET 2010
According to Manual v3.3, "It's possible to apply multiple bonded
interactions of the same type on the same atoms" [12th line of Page 98].
If a dihedral potential for 4 neighboring atoms is defined 3 times using the
"periodic type" in the topology file, like
would GROMACS recognize the dihedral potential as the sum of the above
three, or just the 3rd one (which is defined last)?
If GROMACS recognizes the dihedral potential as the sum, then this can be
another way to define OPLS force filed in GROMACS.
Does anyone know the answer? Thanks.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users