I understand I can use the old protonate program, but the goal is to use
amber11 and only amber11.
So I cannot use this old program anymore. Is there any substitution
method?
I don't understand what you mean by "reduce code". Is it a new way to
make protonate?
GG
-----Original Message-----
From: David A Case [mailto:case.biomaps.rutgers.edu]
Sent: mardi 26 avril 2011 15:44
To: AMBER Mailing List
Subject: Re: [AMBER] End of protonate method with amber11?
On Tue, Apr 26, 2011, Guenegou, Guillaume [ORDFR] wrote:
>
> I have to switch from amber8 to amber11. I have a script which was
using
> the "protonate" method of amber8.
You can of course continue to use the old protonate program if you like.
The "reduce" code is now used for similar functionality.
...dac
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Received on Tue Apr 26 2011 - 07:30:02 PDT
