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--- > Etot = 0. EKtot = 0. EPtot = 0. > BOND = 0. ANGLE = 0. DIHED = 0. > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 0. > EELEC = 0. EHBOND = 0. RESTRAINT = 0. 345d344 < DV/DL = 4.3929 and possible FAILURE: check mdout.emil.0.1.dif /usr/local/src/amber14/test/emil/emil_pmemd_tip3p 196,200c196,199 < Etot = 0. EKtot = 0. EPtot = 35484.36 < BOND = -248.06 ANGLE = -306.01 DIHED = -480.71 < 1-4 NB = -192.19 1-4 EEL = 4543.51 VDWAALS = -6625.23 < EELEC = 38793.07 EHBOND = 0. RESTRAINT = 0. < DV/DL = 35484.36 --- > Etot = 0. EKtot = 0. EPtot = 0. > BOND = 0. ANGLE = 0. DIHED = 0. > 1-4 NB = 0. 1-4 EEL = 0. VDWAALS = 0. > EELEC = 0. EHBOND = 0. RESTRAINT = 0. I didn't find anything specific to these tests on the mailing list, so I wasn't sure if how concerned I should be, since both of these tests deal with FE calculations, which I don't need at the present moment. Thanks for any help! Blake -- Assistant Professor C. Eugene Bennett Department of Chemistry (304) 293-9166 www.mertzlab-biophysics.com <http://www.mertzlab-biophysics.com/index.html> "Life is not easy for any of us. But what of that? We must have perseverance and above all confidence in ourselves. We must believe that we are gifted for something and that this thing must be attained." Marie Curie "Start by doing what's necessary; then do what's possible; and suddenly you are doing the impossible." St. Francis of Assissi _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amberReceived on Tue Jul 08 2014 - 11:00:02 PDT