AMBER Archive (2006)

Subject: Re: AMBER: Problem in running umbrella sampling

From: David A. Case (case_at_scripps.edu)
Date: Sun Feb 12 2006 - 23:11:48 CST

On Mon, Feb 13, 2006, Sai Kumar Ramadugu wrote:

> 1525-090 The NAMELIST READ statement cannot be completed because an
> incorrect character was encountered in a NAMELIST group name or item name.

> &rst
> ixpk= 0, nxpk= 0, iat= 361, -1, r1= 2.30, r2= 5.80, r3= 5.80, r4= 8.67,
>
> rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
> igr2= 433, 434, 435,
> &end
   ^^^^

Try removing the "&end" and replacing it with "/". This sounds suspiciously
like an IBM system (is it?), or similar that might be very picky about using
a non-standard namelist end.

Of course, it might be something completely different.

...good luck...dac

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