AMBER Archive (2005)

Subject: AMBER: Error in minimization

From: Priti Hansia (priti_at_mbu.iisc.ernet.in)
Date: Fri May 20 2005 - 05:58:36 CDT

Dear all,

I am trying to run minimization on some proteins. For few of the proteins
I get the following error:

 Exceeding lastist in get_istack
   lastist = 4000000
   top_stk= 3667872
   isize = 565248
   request= 4233120
  Increase lastist in the &cntrl namelist

I run the following minimization script:

  #1000 cycles of minimization constant dielectric constant
 &cntrl
  maxcyc=1000,ncyc=50, imin=1,cut=9.0,
  ntpr=500,
  ntc=1,
 &end

Can you tell me what the problem is.

Thanks,
-Priti
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