AMBER Archive (2004)

Subject: Re: AMBER: A Question about RESP

From: Jiten (jiten_at_postech.ac.kr)
Date: Sat Mar 06 2004 - 08:41:15 CST

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,
Jiten
  ----- Original Message -----
  From: Ming-Hsun Ho
  To: amber_at_scripps.edu
  Sent: Saturday, March 06, 2004 10:58 PM
  Subject: Re: AMBER: A Question about RESP

  Hi,

  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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu