AMBER Archive (2005)

Subject: AMBER: molsurf: problem with calculate surface area

From: Magne Olufsen (Magne.Olufsen_at_chem.uit.no)
Date: Fri Aug 12 2005 - 03:06:45 CDT

Hello AMBER users

I currently uses MM_PBSA, but when I uses the mm_pbsa script, molsurf is
not able to calculate the surface area for some snapshots. So I tried to
only calculate surface area with molsurf. Here is the error message I get
when I run molsurf on one of the snapshots that molsurf is not able to
calculate the surface area from.
  3540 atoms read
two many interesecting cusps 6

The pdbfile seems to be normal and similar to the snapshots that works, but
also on the snapshots that works I got a warning message: WARNING: 3 cusps
intersection: not trimmed yet

Do anyone know what could be wrong?

Greetings from Magne Olufsen

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