Re: AMBER: distance restraint in minimization

From: Taufik Al-Sarraj <taufik.alsarraj.utoronto.ca>
Date: Wed, 17 Dec 2008 13:52:01 -0500

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




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Received on Fri Dec 19 2008 - 01:11:28 PST
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