AMBER Archive (2008)

Subject: AMBER: Problem about antechamber

From: ë (
Date: Tue Jan 08 2008 - 10:09:03 CST

To someone who may concern this letter,
  antechamber -i zu1.pdb -fi pdb -o zu1.prepin -fo prepi -c bcc -s 2
the following error I got
Warning: the assigned bond types may be wrong, please :
(1) double check the structure (the connectivity) and/or
(2) adjust atom valence penalty parameters in APS.DAT, and/or
(3) increase MAXVASTATE in define.h and recompile bondtype.C
(4) increase PSCUTOFF in define.h and recompile bondtype.C
  But I have checked the H were all added to the molecular.

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