******************************************************* Initiate the NMODE module of AMBER 8 ******************************************************* File generated by MMPBSA.py ntrun maxcyc ibelly drms 1 100 0 0.10E-01 rcut scnb scee dielc idiel 99.00000 2.00000 2.00000 4.00000 0 nsave dfpred bdwnhl smx emx alpha ndiag 20 0.01000 0.10000 0.08000 0.30000 0.80000 10 ipol = 0 i3bod = 0 nvect = 0 | New format PARM file being parsed. | Version = 1.000 Date = 05/06/11 Time = 11:14:28 PARM file has the title: Total memory required : 297950503 real words Total memory required : 11326555 integer words Total memory required : 14378 4-character words Maximum nonbond pairs 11023859 ASSERTion ' ier == 0 ' failed in nmode.f at line 106. ******************************************************* Initiate the NMODE module of AMBER 8 ******************************************************* File generated by MMPBSA.py ntrun maxcyc ibelly drms 1 100 0 0.10E-01 rcut scnb scee dielc idiel 99.00000 2.00000 2.00000 4.00000 0 nsave dfpred bdwnhl smx emx alpha ndiag 20 0.01000 0.10000 0.08000 0.30000 0.80000 10 ipol = 0 i3bod = 0 nvect = 0 | New format PARM file being parsed. | Version = 1.000 Date = 05/06/11 Time = 11:14:28 PARM file has the title: Total memory required : 297950503 real words Total memory required : 11326555 integer words Total memory required : 14378 4-character words Maximum nonbond pairs 11023859 ASSERTion ' ier == 0 ' failed in nmode.f at line 106. ******************************************************* Initiate the NMODE module of AMBER 8 ******************************************************* File generated by MMPBSA.py ntrun maxcyc ibelly drms 1 100 0 0.10E-01 rcut scnb scee dielc idiel 99.00000 2.00000 2.00000 4.00000 0 nsave dfpred bdwnhl smx emx alpha ndiag 20 0.01000 0.10000 0.08000 0.30000 0.80000 10 ipol = 0 i3bod = 0 nvect = 0 | New format PARM file being parsed. | Version = 1.000 Date = 05/06/11 Time = 11:14:28 PARM file has the title: Total memory required : 297950503 real words Total memory required : 11326555 integer words Total memory required : 14378 4-character words Maximum nonbond pairs 11023859 ASSERTion ' ier == 0 ' failed in nmode.f at line 106. ******************************************************* Initiate the NMODE module of AMBER 8 ******************************************************* File generated by MMPBSA.py ntrun maxcyc ibelly drms 1 100 0 0.10E-01 rcut scnb scee dielc idiel 99.00000 2.00000 2.00000 4.00000 0 nsave dfpred bdwnhl smx emx alpha ndiag 20 0.01000 0.10000 0.08000 0.30000 0.80000 10 ipol = 0 i3bod = 0 nvect = 0 | New format PARM file being parsed. | Version = 1.000 Date = 05/06/11 Time = 11:14:28 PARM file has the title: Total memory required : 297950503 real words Total memory required : 11326555 integer words Total memory required : 14378 4-character words Maximum nonbond pairs 11023859 ASSERTion ' ier == 0 ' failed in nmode.f at line 106. ******************************************************* Initiate the NMODE module of AMBER 8 ******************************************************* File generated by MMPBSA.py ntrun maxcyc ibelly drms 1 100 0 0.10E-01 rcut scnb scee dielc idiel 99.00000 2.00000 2.00000 4.00000 0 nsave dfpred bdwnhl smx emx alpha ndiag 20 0.01000 0.10000 0.08000 0.30000 0.80000 10 ipol = 0 i3bod = 0 nvect = 0 | New format PARM file being parsed. | Version = 1.000 Date = 05/06/11 Time = 11:14:28 PARM file has the title: Total memory required : 297950503 real words Total memory required : 11326555 integer words Total memory required : 14378 4-character words Maximum nonbond pairs 11023859 ASSERTion ' ier == 0 ' failed in nmode.f at line 106. ******************************************************* Initiate the NMODE module of AMBER 8 ******************************************************* File generated by MMPBSA.py ntrun maxcyc ibelly drms 1 100 0 0.10E-01 rcut scnb scee dielc idiel 99.00000 2.00000 2.00000 4.00000 0 nsave dfpred bdwnhl smx emx alpha ndiag 20 0.01000 0.10000 0.08000 0.30000 0.80000 10 ipol = 0 i3bod = 0 nvect = 0 | New format PARM file being parsed. | Version = 1.000 Date = 05/06/11 Time = 11:14:28 PARM file has the title: Total memory required : 297950503 real words Total memory required : 11326555 integer words Total memory required : 14378 4-character words Maximum nonbond pairs 11023859 ASSERTion ' ier == 0 ' failed in nmode.f at line 106. ******************************************************* Initiate the NMODE module of AMBER 8 ******************************************************* File generated by MMPBSA.py ntrun maxcyc ibelly drms 1 100 0 0.10E-01 rcut scnb scee dielc idiel 99.00000 2.00000 2.00000 4.00000 0 nsave dfpred bdwnhl smx emx alpha ndiag 20 0.01000 0.10000 0.08000 0.30000 0.80000 10 ipol = 0 i3bod = 0 nvect = 0 | New format PARM file being parsed. | Version = 1.000 Date = 05/06/11 Time = 11:14:28 PARM file has the title: Total memory required : 297950503 real words Total memory required : 11326555 integer words Total memory required : 14378 4-character words Maximum nonbond pairs 11023859 ASSERTion ' ier == 0 ' failed in nmode.f at line 106. ******************************************************* Initiate the NMODE module of AMBER 8 ******************************************************* File generated by MMPBSA.py ntrun maxcyc ibelly drms 1 100 0 0.10E-01 rcut scnb scee dielc idiel 99.00000 2.00000 2.00000 4.00000 0 nsave dfpred bdwnhl smx emx alpha ndiag 20 0.01000 0.10000 0.08000 0.30000 0.80000 10 ipol = 0 i3bod = 0 nvect = 0 | New format PARM file being parsed. | Version = 1.000 Date = 05/06/11 Time = 11:14:28 PARM file has the title: Total memory required : 297950503 real words Total memory required : 11326555 integer words Total memory required : 14378 4-character words Maximum nonbond pairs 11023859 ASSERTion ' ier == 0 ' failed in nmode.f at line 106. ******************************************************* Initiate the NMODE module of AMBER 8 ******************************************************* File generated by MMPBSA.py ntrun maxcyc ibelly drms 1 100 0 0.10E-01 rcut scnb scee dielc idiel 99.00000 2.00000 2.00000 4.00000 0 nsave dfpred bdwnhl smx emx alpha ndiag 20 0.01000 0.10000 0.08000 0.30000 0.80000 10 ipol = 0 i3bod = 0 nvect = 0 | New format PARM file being parsed. | Version = 1.000 Date = 05/06/11 Time = 11:14:28 PARM file has the title: Total memory required : 297950503 real words Total memory required : 11326555 integer words Total memory required : 14378 4-character words Maximum nonbond pairs 11023859 ASSERTion ' ier == 0 ' failed in nmode.f at line 106. ******************************************************* Initiate the NMODE module of AMBER 8 ******************************************************* File generated by MMPBSA.py ntrun maxcyc ibelly drms 1 100 0 0.10E-01 rcut scnb scee dielc idiel 99.00000 2.00000 2.00000 4.00000 0 nsave dfpred bdwnhl smx emx alpha ndiag 20 0.01000 0.10000 0.08000 0.30000 0.80000 10 ipol = 0 i3bod = 0 nvect = 0 | New format PARM file being parsed. | Version = 1.000 Date = 05/06/11 Time = 11:14:28 PARM file has the title: Total memory required : 297950503 real words Total memory required : 11326555 integer words Total memory required : 14378 4-character words Maximum nonbond pairs 11023859 ASSERTion ' ier == 0 ' failed in nmode.f at line 106.