AMBER Archive (2005)

Subject: Re: AMBER: inconsistent ordering in an improper dihedral of TRP

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Fri Feb 11 2005 - 17:41:26 CST


I can confirm that this happens when I try multiple TRP too. I don't
know why- I'll have to look at leap but maybe someone more familiar with
the leap torsion builder would be helpful too..
carlos

David A. Case wrote:

>On Sun, Feb 06, 2005, Sanghyun Park wrote:
>
>
>>The ordering of the improper dihedral CD1-CD2-CG-CB is inconsistent
>>when there are multiple TRP residues.
>>
>>
>
>Thanks for the report. I haven't had time to look into this yet, but I will
>not forget about it!
>
>...best regards..dave case
>
>p.s. the above "promise" should not inhibit others on the list from figuring
>out what is going here. Any help would be appreciated!
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