Go to the source code of this file.
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module | topology_amber |
| Handles all functions used to read and interpret AMBER coordinates and topology files.
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subroutine, public | topology_amber::read_coordinate_crd (topology, para_env, subsys_section) |
| Reads the ‘coord’ version generated by the PARM or LEaP programs, as well as the ‘restrt’ version, resulting from energy minimization or molecular dynamics in SANDER or GIBBS. It may contain velocity and periodic box information.
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subroutine, public | topology_amber::read_connectivity_amber (filename, topology, para_env, subsys_section) |
| Read AMBER topology file (.top) : At this level we parse only the connectivity info the .top file. ForceField information will be handled later.
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subroutine, public | topology_amber::rdparm_amber_8 (filename, output_unit, para_env, do_connectivity, do_forcefield, atom_info, conn_info, amb_info, particle_set) |
| Access information form the AMBER topology file Notes on file structure:
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