AMBER Archive (2003)

Subject: Calcium in proteins

From: Javier Cuervo (jcuervo_at_sciences.sdsu.edu)
Date: Mon May 19 2003 - 19:11:54 CDT

Hi,

I have the following question:

How can I deal with proteins that has Calcium ions (Ca2+), It seems to me
that some forcefield (amber99) has parameters for it (C0), but I have not
been able to produce a .top or .crd files using leap.

Thanks in advance

Javier Cuervo
Graduate Student
Computational Sciences Research Center
San Diego State University