Hi all<br><br>I want to calculate the interfacial tension of two immiscible liquids using the surface tension option in gromacs. when i do that i am getting the error message as <br><br>"One of the box vectors has become shorter than twice the cut-off length or box_yy-|box_zy| or box_zz has become smaller than the cut-off.".I dont know what is it due to?. Below is my mdp file used for the mdrun. any help is highly appreciated.<br>
<br><br>integrator = md <br>nsteps = 500000 <br>dt = 0.002 <br>nstxout = 1000 <br>nstvout = 1000 <br>nstenergy = 1000 <br>nstlog = 1000 <br>
nstxtcout = 1000<br>xtc_precision = 1000<br>xtc_grps = system<br>constraint_algorithm = shake<br>constraints = none <br>unconstrained_start = yes <br>shake_tol = 0.0001 <br>morse = no <br>
ns_type = grid <br>nstlist = 5 <br>rlist = 1.0 <br>coulombtype = PME <br>rcoulomb = 1.0 <br>vdwtype = Cut-off <br>rvdw = 1.0 <br>pme_order = 4 <br>
fourierspacing = 0.16 <br>pbc = xyz <br>tcoupl = V-rescale <br>tc-grps = system <br>tau_t = 0.1 <br>ref_t = 300 <br>pcoupl = Berendsen <br>pcoupltype = surface-tension <br>
tau_p = 1.0 1.0 <br>ref_p = 510 1.0 <br>compressibility = 4.50e-5 0 <br>DispCorr = EnerPres <br>gen_vel = no <br><br>Regards<br>Vinoth<br><br>