Hi I have a doubt regarding use of table in CG MD Simulations. When one uses table for pair potentials to perform Coarse-Grained MD simulations in Gromacs, one specifies potential as well as force values in table. Does Gromacs actually use the force values from the table or it just uses potential values and then differentiate it to compute force on its own?
This may sound weird question, but I have lately observed that, if I change the forces in table keeping the potential values to be the same, I get the same structural properties such as density profile in nano-channel. thanks sikandar -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
