AMBER Archive (2009)

Subject: Re: [AMBER] normal mode analysis

• Previous message: Ross Walker: "RE: [AMBER] QM/MM"
• In reply to: Hannes Wallnoefer: "Re: [AMBER] normal mode analysis"
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On Mon, May 04, 2009, Hannes Wallnoefer wrote:
>
> It seems as if you are right. I changed the default of the mm_pbsa.pl
> script for ntxo from 0 to 1, because the default is not allowed in
> amber10 any more. If i use amber9 with ntxo = 0 minimization the nmode
> tool works fine. Is there an alternative to using amber9 for the normal
> mode analysis?

It should be necessary just to make sander and nmode the same (i.e. both
formatted). But I don't use these particular scripts, so maybe people on the
list can chime in with ideas here.

...dac

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• Previous message: Ross Walker: "RE: [AMBER] QM/MM"
• In reply to: Hannes Wallnoefer: "Re: [AMBER] normal mode analysis"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]