AMBER Archive (2008)

Subject: RE: AMBER: NAB conjgrad returns error?

From: NIEL MICHAEL HENRIKSEN (niel.henriksen_at_utah.edu)
Date: Fri Aug 08 2008 - 14:31:13 CDT

RE: AMBER: NAB conjgrad returns error?

> Anyway, I have attached a fixed(?)version of sff2.c.
> Please try it and let me know whether everything works now.

I tried the fixed version on my system. No errors and the results were exactly the same as when using the older force fields to build the prmtop. Were there any other changes besides the one near line 1345?

best,
Niel

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