Re: [AMBER] Fwd: problems with MCBP parametrization

From: Ben Roberts <ben.roberts.geek.nz>
Date: Fri, 25 Nov 2011 10:21:03 -0500

Hi Andrew,

On 24/11/2011, at 3:28 PM, Andrew Voronkov wrote:

> Dear Amber users, a bit related problem - is it ok to parametrize files in Amber11 with zinc containing protein using MCPB and then to run sander from Amber10 on it?

I don't see why not. MCPB produces FRCMOD and PREP files, which have been valid for the last several versions of Amber, and as far as I know the output of the various LeAPs in AmberTools 1.5 is compatible with the MD engines in Amber 10.

Best,

Ben


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Received on Fri Nov 25 2011 - 07:30:04 PST
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