[gmx-users] Distance COM of two systems
laura.o.vendrame at gmail.com
Fri Feb 8 18:30:33 CET 2019
Em qua, 6 de fev de 2019 às 14:48, Antonio PEÓN <alopez at fc.up.pt> escreveu:
> I would like to calculate the distance from the center of masses (COM)
> between two systems. One would be the center of mass of waters and
> another would be the center of mass of a lipid membrane. I was using
> this command and wanted to know if it is correct.
> gmx pairdist -f total.xtc -s md_0143.tpr -n in13.ndx -sel 2 -ref 5 -o
> distpair.avg -selrpos whole_mol_com -seltype whole_mol_com
> where 2 and 5 are the lipid membrane and waters respectively.
> Thanks in advance.
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