AMBER Archive (2005)

Subject: Re: AMBER: ambpdb TER problems

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Mon Dec 26 2005 - 15:27:07 CST


> addions omc K+ 0
> solvatebox omc TIP3PBOX 8.0

If you reverse the order, leap will replace single waters w/ ions,
rather than subtracting multiple waters that happen to partially
overlap the ion.

Bill
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu