[AMBER] Re: AMBER: GBSA EGB = NaN

From: Markus Kaukonen <markus.kaukonen.iki.fi>
Date: Wed, 18 Feb 2009 14:26:28 +0200

Hei,

I had problems with generalised born solvation in Amber10.
They went away by removing CAP which I had defined in the parameter file.

I was using GB by igb=7

Hope this helps someone.

Terveisin, Markus

-- 
--www=http://www.iki.fi/markus.kaukonen
--Markus.Kaukonen.iki.fi
--office: N102 Nano building FIN-02015 TKK
--home: Viinirinne 3 F 12, 02630 Espoo, FIN
--tel: h 045-1242068, w 4518694, 050-5112785
--Rikos ei kannata, eika maatalous
--Suomessa. (Paimio 1998) ---
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Fri Feb 20 2009 - 01:07:54 PST