Dear users, Am trying to simulate a polymer in vaccum.But when i make the production run and view trajectory(.trr) files in VMD am getting only one frame.Here's a part of my mdp file:
title = polymer cpp = /lib/cpp constraints = all-bonds integrator = md dt = 0.005 ; nsteps = 50000 ; nstcomm = 1 nstxout = 1000 nstvout = 1000 nstfout = 1000 nstlist = 10 ns_type = grid rlist = 1.0 rcoulomb = 1.0 rvdw = 1.0 ; Berendsen temperature coupling is on in two groups Tcoupl = berendsen tau_t = 0.1 0.1 tc-grps = BEN NCH0 ref_t = 300 300 ; Pressure coupling is not on Pcoupl = no tau_p = 0.5 compressibility = 4.5e-5 ref_p = 1.0 ; Generate velocites is on at 300 K. gen_vel = yes gen_temp = 300.0 gen_seed = 173529 But the mdrun given for equilibriation step generated 96 frames.Is that because of the algorithm that i specified in the integrtaor as MD.Because other than md,when i gave bd or steep am getting more frames.So what is the problem in obtining frames with "md" as input for integrator?
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