Commit 7fd449a0 authored by Berk Onat's avatar Berk Onat
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Initial commit for NAMD parser

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# NAMD extended system configuration output file
#$LABELS step o_x o_y o_z
20200 0 0 0
# NAMD extended system configuration output file
#$LABELS step o_x o_y o_z
20200 0 0 0
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remarks parameters for zn patch zn is of type ZN
bonds S ZN 78.0000 2.325 !taken from {ERIK95}
angle H S ZN 0.0 120.0 ! used only to Hbuild no angle term entered
angle S ZN S 36.0 109.5 ! taken from {ERIK95}
angle ZN S CT2 36.0 116.3 ! taken from {ERIK95}
!dihedral CT2 S ZN S 0.0 0.0
NONbonded ZN 0.0125 1.1 0.0125 1.1 !taken from {ERIK95}
NONbonded S 0.4700 2.2 0.4700 2.2 !taken from {ERIK95}
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(FFTW-2.1.3 (20 537 1 0 11 1 1 55 0) (4 537 1 0 11 1 0 100 0) (10 537 1 0 11 1 0 232 0) (2 537 1 0 11 1 0 56 0) (5 537 1 0 11 1 0 122 0) (20 529 1 1 1 1 6 58 0) (4 529 1 1 1 1 5 103 0) (10 529 1 1 1 1 5 235 0) (2 529 1 1 1 1 5 59 0) (5 529 1 1 1 1 5 125 0) (20 537 1 0 220 1 1 55 0) (4 537 1 0 220 1 0 100 0) (10 537 1 0 220 1 0 232 0) (2 537 1 0 220 1 0 56 0) (5 537 1 0 220 1 0 122 0) (20 537 -1 0 220 1 1 44 0) (4 537 -1 0 220 1 0 89 0) (10 537 -1 0 220 1 0 221 0) (2 537 -1 0 220 1 0 45 0) (5 537 -1 0 220 1 0 111 0) (20 537 -1 0 11 1 1 44 0) (4 537 -1 0 11 1 0 89 0) (10 537 -1 0 11 1 0 221 0) (2 537 -1 0 11 1 0 45 0) (5 537 -1 0 11 1 0 111 0) (20 529 -1 1 1 1 6 47 0) (4 529 -1 1 1 1 4 90 0) (10 529 -1 1 1 1 4 222 0) (2 529 -1 1 1 1 4 46 0) (5 529 -1 1 1 1 4 112 0))
\ No newline at end of file
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