From: Victoria Lim (limvt_at_uci.edu)
Date: Tue Sep 19 2017 - 01:37:21 CDT
Dear NAMD users,
Do the harmonic restraint parameters specified by the "constraints" option
contain the factor of one half in the harmonic potential? I realize the
"extraBonds" option does *not* contain this factor, whereas the harmonic
potential in the colvars module does have the 1/2. However, I could not
find an explicit formula for the constraints option.
Thank you,
Ria
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:36 CST