Hi guys, I was just wondering if with "direction_periodic" the pull simulations pulls at both ends of the protein rather than just one.
I've previously been position restraining the C-terminus of my protein and pulling on the N-terminus. With the "distance" pull code this seems to do exactly that - hold the C- and pull the N- away from it. Changing over to the "direction_periodic" it seems that the force is being applied to both the C- and N- termini even though the position restraint file has been specified when creating the .tpr with grompp ... is this right? How can I stop it from pulling on both termini if this is in fact the case? Thanks Natalie ------------------------------------------------ Natalie Stephenson, B.Sc PhD Research Associate Manchester Interdisciplinary Biocentre 131 Princess Street Manchester M1 7DN x65816 ------------------------------------------------
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