Dear who it may concern:
When I used tleap to generate the prmtop and inpcrd files for one enzyme, I
got some error like that:
1-4: angle 4030 4031 duplicates bond ('triangular' bond) or angle ('square'
bond)
1-4: angle 4029 4031 duplicates bond ('triangular' bond) or angle ('square'
bond)
1-4: angle 4029 4030 duplicates bond ('triangular' bond) or angle ('square'
bond)
Building improper torsion parameters.
old PREP-specified impropers:
<DMA 255>: CA OXT C O
<DMA 255>: NE NH1 CZ NH2
<DMA 255>: CD CZ NE HE
<DMA 255>: CZ CT1 NH1 HH12
<DMA 255>: CZ HH21 NH2 HH22
What do they mean?
Besides, here is a non-standard residue in the enzyme, for which I have
developed a specific prepin file. It is a methyl arginine. It is weird that
the parameter is required for the angle CA - CT - N2, which doesn't exist in
the methyl arginine. Did that mean the parameter file I wrote was wrong?
Best,
Zhihong
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 03 2010 - 18:00:02 PST
