Dear Prof. Case,
You have specified ntxo=2, but in the Amber12 manual ntxo= 0 (Unformatted
(no longer recommended or allowed: please use formatted restart
files)
OR
=1 (default) Formatted (ASCII) are there.
I didn't find an option ntxo=2.
Is there such option ??
I have also a question on iwrap. If we set ioutfm=1 then we don't have to
set iwrap=1 even for long simulation. Am I write ?
With sincere regards,
Sunita
>> useful strategy is to set ntxo=2 (using the netcdf restart format),
>> which
>> does
>> not have the problem of overflowing a fixed field length.
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Received on Mon Sep 08 2014 - 06:00:04 PDT
