Re: Problems with Mutator1.1, mutations and FEP

From: SvenBlumenschein_at_gmx.de
Date: Tue Oct 02 2007 - 08:51:30 CDT

Hy

Thanks for the fast replys. Yes I used the psf given by the plugin. Here are the links for my psf and the vmd console output:

http://www.keychem.de/docs/prakt/lys-gly.fep.psf
http://www.keychem.de/docs/prakt/mutator1.1.log

As you can see alchemify was actually applied.

The angle CT1 C CT2 is not in the parameter file. It is physically not reasonable anyway. How can I prevent or remove these angles?

Thanks in advance Sven 

-- 
Psssst! Schon vom neuen GMX MultiMessenger gehört?
Der kanns mit allen: http://www.gmx.net/de/go/multimessenger

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:45:20 CST