[gmx-users] Error in calculating center of mass using distance command

Justin Lemkul jalemkul at vt.edu
Wed Aug 21 15:54:19 CEST 2019



On 8/21/19 9:52 AM, Sumedha Bhosale wrote:
> Hello,
>
> I am trying to calculate the center of mass of residues 513-515 and 588-590
> of chain A and chain B using distance command. I want output in histogram
> format. But it seems that distance command is a calculating the distance of
> my first group and itself. It's not taking the second group. I am getting
> all values as zero in histogram plot.
> I have made index files for two separate groups of chain A and chain B. I
> am using the command - com of group 34 plus com of group 35.

Please provide the exact command you gave, directly copied and pasted 
from the terminal.

-Justin

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Justin A. Lemkul, Ph.D.
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