Hi GROMACS specialist, I am using MARTINI forcefield, My mdp file contain following parameter
constraint_algorithm = Lincs unconstrained_start = no lincs_order = 4 lincs_warnangle = 90 gromacs output is Step 0, time 0 (ps) LINCS WARNING relative constraint deviation after LINCS: rms 2155.597709, max 3283.297607 (between atoms 1676 and 1675) bonds that rotated more than 90 degrees: so what to do??? Please give me the valuable suggestion thank you
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