amber-developers: improper dihedrals

From: Guanglei Cui <cuigl.csb.sunysb.edu>
Date: Tue, 24 Feb 2004 15:07:15 -0700

Hi, all

I'm using antechamber in amber8 to create prepin file for isoprene-like
molecules. antechamber added two improper torsions in the generated
prepin file, but it seems leap likes to use different set of atoms for
the definition. In leap.log, the message isn't quite clear to me if the
improper torsions are applied. 

---
Building improper torsion parameters.
  ** Warning: No sp2 improper torsion term for  c3-ha-c2-c2
         atoms are: C2 H6 C3 C4
  ** Warning: No sp2 improper torsion term for  c2-c3-c2-c3
         atoms are: C3 C6 C4 C5
old PREP-specified impropers:
  <MOL 1>:  C4   C2   C3   H6
  <MOL 1>:  C3   C6   C4   C5
  total 0 improper torsions applied
  2 improper torsions in old prep form
Not Marking per-residue atom chain types.
Marking per-residue atom chain types.
---
Does this look like the improper torsion has been taken care of? Thanks.
Guanglei
Received on Wed Apr 05 2006 - 23:50:05 PDT
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