AMBER Archive (2008)

Subject: Re: AMBER: distance restraint in minimization

From: Taufik Al-Sarraj (taufik.alsarraj_at_utoronto.ca)
Date: Wed Dec 17 2008 - 12:52:01 CST

Thank you zhenwei and Jifeng

I think makeDIST_RST is working well. Many thanks :)

I hope i will get some help on why the minimization is not running, i
have a feeling it is a syntax error somewhere.

>sander -O -i minimize.in -o CEBP8.out -c CEBP8.inpcrd -p CEBP8.prmtop
-r CEBP8.rst

At line 841 of file _nmrcal.f
Fortran runtime error: End of file

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu