AMBER Archive (2009)

Subject: Re: [AMBER] pmemd vs sander.MPI

From: Marek Maly (marek.maly_at_ujep.cz)
Date: Thu Nov 05 2009 - 17:58:50 CST

OK, thanks again a lot !

   Best,

      Marek

Dne Thu, 05 Nov 2009 23:58:37 +0100 Ross Walker <ross_at_rosswalker.co.uk>
napsal/-a:

>> thank you very much to clear up the syntax problem !
>>
>> Just the last detail,
>>
>> if I understood well from your example, if one use the old style,
>> there is no BELLYMASK keyword necessary and
>> the sentence "Allow the following to move"
>> is used instead or if it was just your comment so no keyword is
>> necessary
>> (except ibelly) ?
>
> Yes, just ibelly is needed and no bellymask is required. The "Allow the
> following to move" is purely a comment line and could be changed to
> anything
> you want.
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
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