AMBER Archive (2008)

Subject: AMBER: POL3 with gaff and ff02EP

From: Grange Hermitage (ghermitage_at_gmail.com)
Date: Sun Jul 13 2008 - 20:15:43 CDT

Hi,

Does anyone know why POL3 with gaff and ff02EP would lead to unstable
simulations but when POL3 is replaced with SPC (solvating with POL3BOX
replaced by solvating by SPCBOX) the simulation becomes stable?
I use amb2gmx to run the simulation on gromacs.

thanks,
   Grange.

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu