[AMBER] Fwd: warning in ptraj check coordinates()

From: Sajeewa Pemasinghe <sajeewasp.gmail.com>
Date: Fri, 17 Jun 2011 14:21:49 -0400

---------- Forwarded message ----------
From: Sajeewa Pemasinghe <sajeewasp.gmail.com>
Date: Wed, Jun 15, 2011 at 12:17 PM
Subject: warning in ptraj check coordinates()
To: AMBER Mailing List <amber.ambermd.org>

Hello everyone,

Each time I run ptraj calculations after loading the mdcrd files a warning
appears which says

WARNING in checkCoordinates(): The actual number of atoms (99999)
  does not match the expected number of atoms (167571) in (k1_wat.pdb)
  With this version of the code, this will likely lead to program failure!!

But there is no program failure and the calculation ends in the expected

Could anyone please advise me whether it is alright to continue with the
calculations or there is something I have done wrong.

Best Regards
AMBER mailing list
Received on Fri Jun 17 2011 - 11:30:03 PDT
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