[gmx-developers] how to build the gro file of a MOF
banijamali_fs at ut.ac.ir
Wed Jan 17 11:05:06 CET 2018
I'm working on the MOF structures.I built the pdb file of a MOF without
it's metals, I mean that, in the first step I didn't put metals in the
structure and with the pdb2gmx command I get the gro file of the
structure that includes C, H and O. in the next step I must add .gro
file of the metals to the previous file that I built, my question is,
How can I add the .gro file of the metals to the gro file that
include(C,H and O) to have the final gro file of MOF to go to next step?
I would be very happy, if anyone answer me.
thanks in advance
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