Appologies, two entries are required (the first is for ACE and the
second is for NAC):
[ dihedraltypes ]
; i j k l func coefficients
CT C N CT_2 3 30.28798 -4.81160 -25.47638
0.00000 0.00000 0.00000 For ACE (Sept2006) adapted from
CT_2-N-C-CT_2 parameters with original comment="peptide - V1 changed
to 2.3"
CT_2 C N CT 3 30.28798 -4.81160 -25.47638
0.00000 0.00000 0.00000 For NAC (Sept2006) adapted from
CT_2-N-C-CT_2 parameters with original comment="peptide - V1 changed
to 2.3"
*******************
As an unrelated point:
I receive the users list as a coallated email, not as individual
emails. Therfore I can't reply directly to an email and can't put a
response in the same thread. That isn't ideal (eg. for situations like
this where it would be nice for somebody searching later to find a
"next in thread"). Is there a way to hack the subject line in order to
get a message put into a thread without also having to get all the
posts as individual emails? Thanks.
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