ANGRES Free Energy
ANGRES Free energy impossible, because B-values allways the same as A values. As
found with gmxdump.
In tpxio.c line 636-644.
remove (line 636-
if (( ftype==ANGRES etc.
implement under "case F_PDIHS:"
#1 Updated by Berk Hess over 13 years ago
This bug had already been fixed for the 4.0 release.
Before (in 3.3) it was worse, angle constraints would be incorrect
even when using the same A and B values.
I had fixed this for 3.3.1, but had to introduce the A and B
values always being the same, as we did not want to change
the tpx format for 3.3.1.