= 1，会出现Warning: pressure scaling more than 1%及Constraint error in algorithm Lincs的错误，两种...
constraint-algorithm = LINCS tcoupl = V-rescale tc-grps = System tau_t = 0.1 ref_t...
constraint-algorithm = LINCS tcoupl = V-rescale tc-grps = System tau_t = 0.1 ref_t...