Amber 7 and 6 topology files.

From: Miguel de Federico <miguel_at_qorws1.uab.es>
Date: Mon 30 Sep 2002 17:08:36 +0200

 I have been told that if I use amber 7, I can use the new2oldparm for
having amber 6 topology files which I can use with sander provided with
amber 6.

 If i'm not wrong, the usage is: new2oldparm <newamber7 > oldamber6

 I have done so, but sander still doesn't works. Here is the output for
a simple minimisation.

 Could anybody help me about this?



          -------------------------------------------------------
          Amber 6 SANDER Scripps/UCSF 1999
          -------------------------------------------------------

| Mon Sep 30 16:56:28 2002

  [-O]verwriting output

File Assignments:
|MDIN : 001min10k.in
|MDOUT: AdA200min.out
|INPCR: ../../6leap/AdA200.crd
|PARM : ../../6leap/zAdA200.top
|RESTR: AdA200min.rst
|REFC : refc
|MDVEL: mdvel
|MDEN : mden
|MDCRD: mdcrd
|MDINF: AdA200min.inf


 Here is the input file:

Optimizacion en 10000 ciclos
 &cntrl
  ntb=1, imin=1, maxcyc=10000,
  ntx=1, scee=1.2
 &end
-------------------------------------------------------------------------------

Optimizacion en 10000 ciclos



   1. RESOURCE USE:

 getting box info from bottom of parm
 getting new box info from bottom of inpcrd
 peek_ewald_inpcrd: SHOULD NOT BE HERE
Received on Mon Sep 30 2002 - 08:08:36 PDT