AMBER Archive (2003)

Subject: PBC without solvent

From: Franck Chevalier (Franck.Chevalier_at_iiq.cartuja.csic.es)
Date: Tue Mar 18 2003 - 04:37:55 CST

Good Afternoon,
I have a new question about using Periodic boundary condition in AMBER
6.0. Is it possible to run PBC dynamics without including solvent in my
input files (.crd and .top)? I would like first to equilibrate my system
with PBC before adding the solvent (water). I read that the dimensions
of the box have to be written in the .crd and .top files.
Could you please help me again ?
Thanks a lot,
Franck