AMBER Archive (2007)

Subject: Re: AMBER: for makeDIST_RST

From: David A. Case (case_at_scripps.edu)
Date: Fri Sep 14 2007 - 10:10:28 CDT


On Wed, Sep 12, 2007, Wenyong Tong wrote:
>
> Then type: makeDIST_RST -vol 7col.dist -pdb
>
> but there are no id20, oscale, taumet , taurot and
> emix at the top of the file as sample provide in the
> Amber manual.

You have to manually edit the output from makeDIST_RST to add these values.

>
> If I give the imix=0.2 (mixing time is 200ms)
>
> makeDIST_RST -imix 0.2 -vol 7col.dist -pdb gcg_b.amb.pdb -svf NOE

The "imix" command-line variable is an integer (stating which mixing time is
used, not its value.)

...good luck...dac

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