Re: [AMBER] General question about AmberTools with older Amber

From: Ross Walker <ross.rosswalker.co.uk>
Date: Tue, 18 Sep 2012 19:23:50 -0700

Dear Zalikha,

The prmtop and inpcrd files made with AmberTools 12 should be backwards
compatible with earlier versions of AMBER, certainly back to Amber 9,
perhaps back to Amber 7. A few newer features, such as the variable 1-4
scaling used in the Glycam force field will not be processed correctly,
they'll simply be ignored, but most other things, such as FF12,
FF99SB-ILDN etc should work fine.

All the best
Ross


On 9/18/12 7:07 PM, "Zalikha Ibrahim" <zalikha.ibrahim.yahoo.com> wrote:

>Good day everyone,
>
>I am wondering, is that possible if we prepare our input file (incrd,
>prmtop) using currently released AmberTools (i.e AmberTools 1.5 and
>AmberTools 12) and proceed with simulation using older Amber (i.e.
>Amber8, Amber9, Amber10)? Can these older Amber support files prepared by
>updated force field and would it affect our simulation? This maybe very
>simple, but I really don't know.
>
>Lots of thanks in advance for your guidance
>
>Zalikha Ibrahim
>_______________________________________________
>AMBER mailing list
>AMBER.ambermd.org
>http://lists.ambermd.org/mailman/listinfo/amber



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Received on Tue Sep 18 2012 - 19:30:04 PDT
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