I am a new comer to Amber, and trying to test the regular ewald
calculations in Amber8.
According to the Amber8 manual, I simply set ew_type = 1 and ran sander.
The program ended up with:
Exceeding lastrst in get_stack
lastrst = 1566538
top_stk= 1433106
isize = 477702
request= 1910808
Increase lastrst in the &cntrl namelist
I checked the manual, but could not find the keyword "lastrst". Were
there any other keywords required to be added into the input file? In
addition to set ew_type=1, should I also set use_pme=0?
--
Kind regards,
Jianwen
-------------------------------------
Jianwen Jiang
Department of Chemical Engineering
University of Delaware
Newark, DE 19716
-------------------------------------
Tel: (302) 831-6953
Fax: (302) 831-1048
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Received on Fri Sep 24 2004 - 17:53:00 PDT
