Re: Extra points

From: jim caldwell <>
Date: Thu 15 Aug 2002 14:54:21 -0700 (PDT)

You really need to tell us what version of Sander you are using
(exactly), I can't find that error in the code for Sander7.

On Thu, 15 Aug 2002, Sarah Tschampel wrote:

> Hi,
> I am attempting to add EPs to a carbohydrate force field to make it
> compatable with the AMBER force field. After preparing the prep files I
> would like to test them in SANDER and compare the results to the same
> carbohydrates without EPs. At this point, I am only doing MeAGlu,
> solvated in a box of tip3p waters. The glucose residue has 12 EPs and the
> methoxy group 2 EPs... so 2 for every oxygen.
> The sander run crashes with the error "MAX13 EXCEEDED"
> Since, the glucose residue contains more EPs than the standard AA, I am
> assuming that there is a maximum number, because when i removed two EPs,
> the error "MAX14 EXCEEDED" was returned, but when I removed two additional
> EPs there was not a problem, so no problem with 6 EPs on a single residue.
> I examined the extra_pts.f file, but could
> not determine if or what the maximum is.
> Any help would be greatly appreciated,
> Sarah

James W. Caldwell (voice) 415-476-8603
Department of Pharmaceutical Chemistry (fax) 415-502-1411
Mail Stop 0446 (email)
513 Parnassus Avenue
University of California
San Francisco, CA 94143-0446
Received on Thu Aug 15 2002 - 14:54:21 PDT
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