VMD-L Mailing List

From: Ana Vila Verde (a.vilaverde_at_amolf.nl)
Date: Thu Apr 17 2008 - 05:54:50 CDT

Thank you Axel and Olaf for the quick replies; I really appreciate it!

Ana

Olaf Lenz wrote:
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>>> why so complicated?
>>>
>>> shouldn't:
>>>
>>> pbc wrap -center "<selection text for molecule>" -all
>>>
>>> do the trick, provided there is only one molecule?
>>>
>
> Doh, you're absolutely right. I thought you wanted to measure the hbonds
> between all water molecules...
>
> However, youre method only works, when the molecule does not stretch the
> whole box.
>
> Olaf
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-- 
_______________________________________________________
Ana Vila Verde
Post-doctoral scholar
FOM Institute for Atomic and Molecular Physics [AMOLF]
P.O.Box 41883
1009 DB Amsterdam
The Netherlands
Phone: +31-20-6081392
Fax: +31-20-6684106
E-mail: a.vilaverde_at_amolf.nl
University of Minho
Physics Center
Campus de Gualtar
4710-057 BRAGA
Portugal
E-mail:avilaverde_at_fisica.uminho.pt
_______________________________________________________