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top_ap5.inp
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*>>>>>> Combined CHARMM All-Hydrogen Topology File for <<<<<<<<<
*>>>>>>> CHARMM22 Proteins and CHARMM27 Nucleic Acids <<<<<<<<<<
*from
*>>>> CHARMM22 All-Hydrogen Topology File for Proteins <<<<<<<<
*>>>>>>>>>>>>>>>>>>>>>>> August 1999 <<<<<<<<<<<<<<<<<<<<<<<<<<<
*>>>>>>> Direct comments to Alexander D. MacKerell Jr. <<<<<<<<<
*>>>>>> 410-706-7442 or email: alex,mmiris.ab.umd.edu <<<<<<<<<
*and
* \\\\ CHARMM27 All-Hydrogen Nucleic Acid Topology File ////
* \\\\\\\\\\\\\\\\\\ Developmental ////////////////////////
* Alexander D. MacKerell Jr. and Nicolas Foloppe
* August 1999
* All comments to ADM jr. email: alex,mmiris.ab.umd.edu
* telephone: 410-706-7442
*
31 1
PRES AP5 0.000
DELE ATOM 2O3B
ATOM 1O1G ON2 -0.84 ! so that AP5 has total -5 charge
ATOM 1O3G ON3 -0.84 ! so that AP5 has total -5 charge
ATOM 1O2G ON3 -0.84 ! so that AP5 has total -5 charge
ATOM 1PG P2 1.50
ATOM 2PB P2 1.50
ATOM 2O2B ON3 -0.82
ATOM 2O3B ON3 -0.86 ! to match 1O3B
BOND 1O3G 2PB
END
! FROM ADP
!GROUP
!ATOM C5' CN8B -0.08
!ATOM H5' HN8 0.09
!ATOM H5'' HN8 0.09
!ATOM O5' ON2 -0.62
!ATOM PA P 1.50
!ATOM O1A ON3 -0.82
!ATOM O2A ON3 -0.82
!ATOM O3A ON2 -0.74
!ATOM PB P2 1.10
!ATOM O1B ON3 -0.90
!ATOM O2B ON3 -0.90
!ATOM O3B ON3 -0.90