AMBER Archive (2008)

Subject: Fwd: AMBER: lastrst problem

From: san_amber roy (sanamber_at_gmail.com)
Date: Wed Mar 12 2008 - 10:19:08 CDT

Here are the attachments

---------- Forwarded message ----------
From: san_amber roy <sanamber_at_gmail.com>
Date: Wed, Mar 12, 2008 at 4:07 PM
Subject: AMBER: lastrst problem
To: amber_at_scripps.edu

Dear amber users,
                                       I am using amber8. I am simulating
one model peptide solvated with methanol. But here I just wanted one solvate
methanol, so I used 1.5 angstrom buffer, which added one methanol to the
model system.

Now when I am minimizing this total system with sander, I am getting the
very common following error......
 Exceeding lastrst in get_stack
   lastrst = 7178
   top_stk= 0
   isize = 22352
   request= 22352
  Increase lastrst in the &cntrl namelist

*so I increased the value of lastrst
lastrst = 80000000*

but again I am getting the same error

 Exceeding lastrst in get_stack
   lastrst = 7178
   top_stk= 0
   isize = 22352
   request= 22352
  Increase lastrst in the &cntrl namelist

I am attaching both the output files, please look into these and help me
regarding this problem

Thanks in advanced
Santanu


  • chemical/x-mopac-out attachment: min1.out

  • chemical/x-mopac-out attachment: min2.out
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