Fixes "Function type U-B not implemented in ip_pert."
authorMagnus Lundborg <lundborg.magnus@gmail.com>
Mon, 29 Apr 2013 19:33:52 +0000 (21:33 +0200)
committerMagnus Lundborg <lundborg.magnus@gmail.com>
Mon, 29 Apr 2013 21:07:36 +0000 (23:07 +0200)
commit780247b0169f35b8dbed94d1ce480323bd31d43e
treee732ecb1f187272c595f331c67758fc87dc5572b
parent99e26667737730cf0a1602bc25d9c3bf2cf145d7
Fixes "Function type U-B not implemented in ip_pert."

Fixes this bug, occuring when running free energy calculations using
the CHARMM ff. Refs #1115.

Change-Id: Ia3becd61eca93447c936bdb3297570684ae29a28
src/gmxlib/topsort.c