AMBER Archive (2004)

Subject: Re: AMBER: Cartitian Restraint Error

From: Jiten (jiten_at_postech.ac.kr)
Date: Sun Jan 25 2004 - 08:26:31 CST

It works if I devide into groups having less than 12 atomtypes in each group.

Sorry for the trouble,

Sincerely,

Jiten
  ----- Original Message -----
  From: Jiten
  To: amber_at_scripps.edu
  Sent: Sunday, January 25, 2004 11:17 PM
  Subject: AMBER: Cartitian Restraint Error

  Dear Amber community,

  In an attempt to minimize the protein with the heavy atoms cartitian restraints, I got the following massages

  **** NUMBER OF FIND CARDS = 12 IS TOO BIG ******

       rfree: Error decoding variable 2 2 from:

  When I check the amber mailing list - it has been instructed to modify the rgroup.f - I modify it as follows.

  COMMON/PROPF/JGRAPH(31),JRESNM(31),JSYMBL(31),JTREE(31),ISRCH in line 51

  COMMON/PROPF/JGRAPH(31),JRESNM(31),JSYMBL(31),JTREE(31),ISRCH in line 449

  And recompile the sander.

  It gives the same error when I rerun the sander. Do I need to modify something somewhere.

  Thanking for your help in advance.

  Sincerely,

  N. Jiten Singh
  C/O Prof. Kwang S. Kim
  Department of Chemistry
  Pohang University of Science and Technology
  San 31, Hyojadong, Namgu
  Pohang 790-784, Korea
  Phone : 82-54-279-5853 ( Lab ) / 279-4138 ( Appt )
  Fax : 82-54-279-8137 (or +82-54-279-3399)
  Web : http://csm.postech.ac.kr/ and http://www.postech.ac.kr/e
  Home Page : http://www.geocities.com/njs_19

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