AMBER Archive (2003)

Subject: Re: CARNAL

From: Lepsa (lepsik_at_marilyn.uochb.cas.cz)
Date: Tue Jan 21 2003 - 03:33:37 CST

Thanks to Sanjeev, Bill and Holger for replies, the problem is half-solved
now.

Ad distances) When I use atom numbers instead of atom names and residue
numbers, CARNAL works fine.
So I'd like to ask; what is the format for ATNAME RESNUM? I used those found
in pdb file.......

Ad H-bonds) What does it mean when I get different atom order in an H-bond
like H - O........O ?

With best wishes,

Martin Lepsik