AMBER: Problem about antechamber

From: ë <yulaomao1983.yahoo.com.cn>
Date: Wed, 9 Jan 2008 00:09:03 +0800 (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.

       
---------------------------------
Ż䴫ףԺؿ
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jan 09 2008 - 06:07:25 PST
Custom Search