[gmx-users] Has the forces for virtual sites in the trr file been reditributed?

Pu Liu puliu45 at hotmail.com
Thu Jan 11 21:31:18 CET 2007


Dear GROMACS list members,

   I have another question on the force data in trr files.

   For the TIP4P model,  there is one virtual site. I am wondering if the 
forces on the virtual sites and the other related atoms have been 
redistributed before they are written in the trr file.

  Thank you very much!

Pu

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