Dear users,<br><br>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:<br><br>title = polymer<br>
cpp = /lib/cpp<br>constraints = all-bonds<br>integrator = md<br>dt = 0.005 ;<br>nsteps = 50000 ; <br>nstcomm = 1<br>nstxout = 1000<br>
nstvout = 1000<br>nstfout = 1000<br>nstlist = 10<br>ns_type = grid<br>rlist = 1.0<br>rcoulomb = 1.0<br>rvdw = 1.0<br>; Berendsen temperature coupling is on in two groups<br>
Tcoupl = berendsen<br>tau_t = 0.1 0.1<br>tc-grps = BEN NCH0<br>ref_t = 300 300<br>; Pressure coupling is not on<br>Pcoupl = no<br>
tau_p = 0.5<br>compressibility = 4.5e-5<br>ref_p = 1.0<br>; Generate velocites is on at 300 K.<br>gen_vel = yes<br>gen_temp = 300.0<br>gen_seed = 173529<br>
<br><br>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?<br>