[gmx-users] make ghost atom
Park, Jae Hyun nmn
parkj at ornl.gov
Tue Mar 23 22:15:43 CET 2010
I would like to change a specific atom into a ghost particle (no interaction with system) after some time (for example, 1ns).
Is there any way to implement it in GROMACS?
If I need change the code, what file do I have to look at?
I would deeply appreciate any comments.
Jae H. Park
Jae Hyun Park, Ph.D.
Oak Ridge National Laboratory
P.O. Box 2008, MS-6372
Oak Ridge, TN 37831
Phone (865) 241-1482
E-mail parkj at ornl.gov
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