AMBER Archive (2006)

Subject: Re: AMBER: residence time of water molecules

From: Angelo (angelo_at_holmes.cancres.nottingham.ac.uk)
Date: Thu Sep 14 2006 - 03:57:38 CDT

Hi,

Have a look at the Hbond command in ptraj

Angelo

venditti2_at_unisi.it wrote:

>Dear all,
>is there a way to calculate the average residence time of water molecules
>on a particular surface atom?
>Many thanks in advance,
>Vincenzo
>
>-----------------------------------------------------------------------
>The AMBER Mail Reflector
>To post, send mail to amber_at_scripps.edu
>To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>
>
>

This message has been checked for viruses but the contents of an attachment
may still contain software viruses, which could damage your computer system:
you are advised to perform your own checks. Email communications with the
University of Nottingham may be monitored as permitted by UK legislation.

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