Re: [AMBER] CHAMBER prmtop

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Tue, 1 Mar 2011 19:51:11 -0800

> ERROR: Flag "TITLE" not found in PARM file
> any workaround for this?

Maybe add a title in the prmtop using a text editor and deductive
skills. Other missing flags might be more problematic to simulate,
but title should be easy.


AMBER mailing list
Received on Tue Mar 01 2011 - 20:00:04 PST
Custom Search