amber-developers: Ff02 ep pol/parm99EP on ace-ala4-nme in POL3BOX

From: Yong Duan <>
Date: Sun, 16 Nov 2003 16:46:18 -0700

I have a preliminary analysis of a simulation on ala4 in POL3BOX for 5
ns, using ff02EP/parm99EP. The simulation will be continued to 10ns but
I doubt longer simulation will qualitatively change the picture.

The main-chain phi-psi distribution is biased toward the region close to
(30<phi<60 and -60 <psi< 60). This is not a region that is typically
observed in either PDB or other simulations. Those of you who want to
take a look at the data, please let me know. The file is not too big
(0.5MB). But it has to be sent by attachment.

Received on Wed Apr 05 2006 - 23:50:06 PDT
Custom Search