Hi all 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
"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. integrator = md nsteps = 500000 dt = 0.002 nstxout = 1000 nstvout = 1000 nstenergy = 1000 nstlog = 1000 nstxtcout = 1000 xtc_precision = 1000 xtc_grps = system constraint_algorithm = shake constraints = none unconstrained_start = yes shake_tol = 0.0001 morse = no ns_type = grid nstlist = 5 rlist = 1.0 coulombtype = PME rcoulomb = 1.0 vdwtype = Cut-off rvdw = 1.0 pme_order = 4 fourierspacing = 0.16 pbc = xyz tcoupl = V-rescale tc-grps = system tau_t = 0.1 ref_t = 300 pcoupl = Berendsen pcoupltype = surface-tension tau_p = 1.0 1.0 ref_p = 510 1.0 compressibility = 4.50e-5 0 DispCorr = EnerPres gen_vel = no Regards Vinoth
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