AMBER Archive (2006)

Subject: Re: AMBER: input conversion error mm_pbsa

From: David A. Case (case_at_scripps.edu)
Date: Tue Aug 15 2006 - 17:47:19 CDT

On Wed, Aug 16, 2006, AYTUG TUNCEL wrote:
>
> forrtl: severe (64): input conversion error, unit 8, file
> /atuncel/Desktop/comp/snapshots/complex.mdcrd

> /atuncel/Desktop/amber8/exe/sander -O -i sander_com.in -o
> sander_com.1.out -c /atuncel/Desktop/comp/snapshots/agpase_com.crd.1
> -p /atuncel/Desktop/comp/snapshots/complex.mdcrd not successful

The "-p" flag specifies the prmtop file, but you seem to be pointing to a
trajectory file ("complex.mdcrd"). So, you need to figure out how sander is
being invoked, and give it the correct files.

...dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu