[gmx-users] another pull-code question

chris.neale at utoronto.ca chris.neale at utoronto.ca
Fri Jul 2 18:42:49 CEST 2010


Dear Gavin:

1. Please use an informative title like "pull_group0 moves  
unexpectedly" so that those searching the list later can find it useful.

2. We're using Newton's equations, so equal and opposite forces are  
what you should expect. Why is there a problem is pull_group0 moves?

Chris.

-- original message --

Hi all

Thanks for all the previous information. I have successfully pulled two
molecules together in the manner that  I wished. However  I noticed that
the two molecules both moved. I thought that only pull_group1
should move. I have searched the mailing list and stumbled upon
something about removing the centre of mass motion. I do remove the
centre of mass motion. To keep pull_group0 in place do you set centre of
mass motion = no.





More information about the gromacs.org_gmx-users mailing list