Hello Mark and Justin:
thanks a lot for kind comments.
I changed the atom order in forcecfiled .rtp file so that they are the
same with the output from CHARMM-GUI, and it works fine now.
best
Albert
On 04/17/2013 12:50 AM, Mark Abraham wrote:
"Support" is not really the right word:-). That force field port and that
builder are things provided by (different?) third parties in the hope that
they are useful. You can't really expect stuff written by three groups of
people at different times to inter-operate seamlessly.
IIRC nbfix has been around for a while, but I've no idea what it is...
Mark
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