Dear sir
good day !
I wanted to simulate a constant volume periodic box of crystal, not in
vacuum with igb is not 6 nor in implicit solvent with igb equal 2,5 o7 etc
I need to run my periodic crystal with igb=0 and ntb=1 without any kind of
solvation ,is that possible ?!
because every time i ran, I got the problem of " peek_ewald_inpcrd: Box
info not found in inpcrd"
I need to set the dimension of this periodic box ?
is there any tip i should do during file preparation?
is there any tutorial to follow?
Thanks in advance !
Regards
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Received on Wed Oct 14 2015 - 07:00:04 PDT
