On 4/22/15 8:51 PM, Alex wrote:
Okay, that clarifies it. I wasn't sure, because of your earlier comment, despite the fact that I was using referenced pull. Indeed, in my case, part of the system is essentially solid-state, its COM fixed in space, while other stuff is being moved relative to it. I was also curious how (in more detail than what the manual says) the periodic pull worked. I think I would greatly benefit from the ability to translocate, say, a strand of DNA infinitely across a periodic boundary. As is, that would never work, because the group's COM would be nearly static, eventually resulting in huge forces applied to the pulled group. So, if the periodic option is used, will it be possible to continuously translocate a linear chain with a length comparable to the corresponding box dimension, while the rest of the system is non-translating?
No idea, never tried it. -Justin -- ================================================== Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 629 University of Maryland, Baltimore 20 Penn St. Baltimore, MD 21201 [email protected] | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul ================================================== -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
