Re: [AMBER] Multiple MEPs option in R.E.D tools

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Thu, 02 Apr 2015 09:46:58 +0200

Dear Hannes,

>> There is value to providing a workflow that can be scripted and run
>> on a computer in which all components of the workflow can be
>> downloaded and installed locally.
>
> I couldn't agree more to this.

ok - good for You.

> Web services are fine as long as the underlying code is available too.

R.E.D. perl is available, and PyRED will be...

When I study the Amber tutorials I expect to get correct information
from the web site for... the Amber programs: I use these tutorials
quite often in domains that I do not master well, for instance, for MD
simulations. Nothing to say here.

This RESP charge derivation tutorial is simply wrong because it is
_located_ on the Amber web site. If it would be located somewhere else
I think it would not be a problem...

regards, Francois



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Received on Thu Apr 02 2015 - 01:00:03 PDT
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