Re: AMBER: Question about "nmanal"

From: David A. Case <case.scripps.edu>
Date: Tue, 12 Jul 2005 09:29:46 -0700

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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Jul 12 2005 - 17:53:00 PDT
Custom Search