Dear AMBER User,
I want to move my protein to the corner of the box to make it smaller, I am
interested dynamics of just one part of the proteins and I will put
restoration another part on a fix in the corner, I used the "translate"
command but it seems it does not work. any suggestions? this my leap script
:
source leaprc.ff10
set default PBradii bondi
WAT=OPC
mods = loadAmberParams frcmod.opc
mods = loadAmberParams frcmod.ionsjc_tip4pew
mol = loadpdb 1kx5__1_mutation_tail_slice.pdb
addions mol Na+ 0
addions mol Cl- 0
#addions2 mol Na+ 26
#addions2 mol Cl- 26
solvateBox mol OPCBOX 4 iso
translate mol {3 3 0}
saveamberparm mol H4-DNA-OPC-FF10-mutated-position.top
H4-DNA-OPC-FF10-mutated-position.crd
quit
Best Regards
Parviz
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Received on Sat Aug 19 2017 - 14:00:03 PDT
