Re: [AMBER] error when Chamber dealing with DNA, RNA and ATP

From: Ross Walker <>
Date: Tue, 30 Oct 2012 11:03:56 -0700

>I'm replying also to the list with this one, since I've seen the same
>issue with this specific dihedral parameter line once already this week.
>On line 3198 in your par_all27_prot_na.prm:
>HN7 CN7 CN8B ON2 0.195 3 0.0 !gam H-C4'-C5'-O5'
>there is a tab character after 0.195. This is tripping up CHAMBER's
>basic parsing ability; removing it should fix the issue. Purported fixes
>to catch this have yet to materialise into the tree.

Mark if you have a fix lined up for Chamber for this (rather than having
the Charmm people fix their file which would be the correct way) you
should be able to commit it to the master git tree and also to the
Amber12-with-patches branch and then a bug fix can be released for it.

All the best

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
| | |
| Tel: +1 858 822 0854 | EMail:- |

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Received on Tue Oct 30 2012 - 11:30:04 PDT
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