AMBER Archive (2005)

Subject: Re: AMBER: Question about "nmanal"

From: David A. Case (case_at_scripps.edu)
Date: Tue Jul 12 2005 - 11:29:46 CDT

On Tue, Jul 12, 2005, Yen-Ting Lai wrote:

> I have tried nmanal with ntrun=8, but only get an error message: bad magic
> number "rdpa"

The code is hardwired for the "binpos" format. Try editing quasip.f to
change ftyp to 2 (rather than 5). Or, use ptraj to create a binpos file.

...dac

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