I'm just running my first MD on a 500ps timescale
I'm concerned about this output:
ntwr=5000,
ntwx=1000,
temp0=300.0,
ntt=1,
tautp=1,
ntb=2,
ntp=1,
ntc=2,
ntf=2,
nrespa=1,
cut=10.0,
&end
--------------------------------------------------------------------------------
1. RESOURCE USE:
--------------------------------------------------------------------------------
| Flags:
getting new box info from bottom of inpcrd
| INFO: Old style inpcrd file read
| peek_ewald_inpcrd: Box info not found in inpcrd
|Largest sphere to fit in unit cell has radius = 0.000
This is the only file produced in 24h calculation.
I run the following:
/prog/amber9/exe/sander -O -i dinamica.in -o MNK1.dinamica.out -p
prm_2.top -c MNK.system.rst -r MNK1.sys.din.rst -x MNK1.sys.din.crd
There is come bug??
Many thanks
edo
--
Dr Edoardo Saccenti
CERM Magnetic Resonance Center
University of Florence
Fiorgen Foundation
Via Luigi Sacconi n° 6
50019 Sesto Fiorentino
(FI) Italy
Tel: +39 055 4574281
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Received on Mon Sep 24 2007 - 17:45:00 PDT
