Re: [AMBER] prmtop.pdf %FLAG SCREEN

From: David A Case <>
Date: Wed, 10 Jan 2018 13:53:08 -0500

On Tue, Jan 09, 2018, Johannes Kalliauer wrote:
> It seems that in
> you forgot to explain
> > %FORMAT(5E16.8) (FS(i), i=1,NATOM)
> > FS : Screening parameters used in Generalized Born

> which is explained in

This looks like a section of the prmtop file that was added after Jason's
thesis was written. An advantage of the html version is that it is easier
to update than the PDF version. Plus, having only one version gets rid of
"content drift" like this.

> Maybe it would even make sense to include prmtop.pdf into the AmberManual.

I don't think so, both because the Manual is already too big, and because
information that could change is probably better kept on line.

But I'm cc-ing to Jason for comments. I don't even know what format his
thesis appendix is written in: it might (or might not be) very easy to update
the prmtop.pdf file. If it's not, we might want to try to incorporate the
explanatory comments from the thesis (as well as the CHARMM-specific stuff)
into the html version.

Thanks for alerting us to this problem!


AMBER mailing list
Received on Wed Jan 10 2018 - 11:00:03 PST
Custom Search