Re: AMBER: Getting prmtop and inpcrd

From: Bill Ross <>
Date: Mon, 29 Oct 2007 12:26:16 -0700 (PDT)

> (Residues lacking connect 0/ connect 1 -
> These don't have chain types marked:
> res total affected
> CTHR 4
> NSER 4

The marking of main chain atoms is just for analysis programs that
use atom connectivity info in the prmtop to e.g. derive backbone
torsions. There is no basis for marking the chain for terminal
residues since they don't connect out of 1 end. Unless you are
planning to do this sort of analysis, there is no problem w/ the
above msg.

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Received on Wed Oct 31 2007 - 06:07:37 PDT
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