Dear users: I set up a 8nm cubic box with 6 long chain molecules. After EM, there is no error message. However I found that in the gro file by visualization, 2 of the chains has been split in many parts, which means many bonds in the molecules disconnected. And also the other 4 are good. I checked em.log and eveyting looks fine.
Steepest Descents converged to machine precision in 1545 steps, but did not reach the requested Fmax < 10. Potential Energy = -7.51461594735782e+03 Maximum force = 2.66505909651672e+02 on atom 1256 Norm of force = 9.84300153087768e+00 Anyone knows how to solve the problem? Thanks in advance! -- Yanmei Song Department of Chemical Engineering ASU
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