Hello,
I'm doing a minimization on a small system (2 residues + a modified one)
using a modified parameters file. I'm able to produce the parm7 and rst7
using tleap with no problem or error messages, the files are readable and I
can correctly visualize them using VMD.
I used sander (Amber16) with this minimization input:
&cntrl
imin = 1,
maxcyc = 50000,
ncyc = 500,
ntb = 0,
igb = 0,
cut = 1000,
ntxo = 2
/
and this command:
sander -O -i min.mdin -p retk.parm7 -c retk.rst7 -ref retk.rst7 -o
retk.min.mdout -r retk.min.rst7
The minimization ended after 40500 steps, but the retk.min.rst7 file is
unreadable and VMD cannot open it. Do you know what is it going on?
Thank you for your help,
Elisa
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Received on Thu Jun 02 2016 - 02:00:02 PDT
