Re: AMBER: A Question about RESP

From: Jiten <>
Date: Sat, 6 Mar 2004 23:41:15 +0900

Please check if your esp points are more than the double esp[number][4] in espgen.c which is available in src/antechamber. If so modify the number with larger number and recompile antechamber.

Best wishes,
  ----- Original Message -----
  From: Ming-Hsun Ho
  Sent: Saturday, March 06, 2004 10:58 PM
  Subject: Re: AMBER: A Question about RESP


  Thanks for your help. I did what you suggested but it couldn't work either. I found the problem was that ESPGEN couldn't generate the output file for RESP to read, and the following procedures were failed. After I executed the ESPGEN, nothing happened. NO ERROR MESSAGES AND NO OUTPUT FILES. Do anyone have the same problem?

  Ming-Hsun Ho

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Received on Sat Mar 06 2004 - 14:53:00 PST
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