AMBER Archive (2008)

Subject: AMBER: molsurf fails

From: Arturas Ziemys (arturas.ziemys_at_uth.tmc.edu)
Date: Tue Nov 25 2008 - 09:27:27 CST

Hi,

For some frames I get errors like that:
   molsurf: molsurf.c:1055: is_buried: Assertion `sarg1 >= 0.0' failed.
   sh: line 1: 1618 Aborted
/public/usr/lib/AMBER/exe/molsurf frameH_rec.pqr.920 0.0 >
frameH_rec.mslog.920

I checked my structures - those are pretty reasonable.
What happens with that frame later in statistics ? How it affects the
calculation of statistics ?

Arturas 

-- 

Arturas Ziemys, PhD
  School of Health Information Sciences
  University of Texas Health Science Center at Houston
  7000 Fannin, Suit 880
  Houston, TX 77030
  Phone: (713) 500-3975
  Fax:   (713) 500-3929  

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