[EMAIL PROTECTED] wrote:
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"
*******************
These entries look correct to me.
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.
No. Threading is not done by interpreting the contents of the subject
line, but rather through the use of headers that aren't normally visible
in mail readers without the user saying they want to see them. Digests
break this.
Mark
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