| Specifies the filename that contains the molecular connectivity.
|
| This required keyword expects a string |
| variants: CONN_FILE |
CONN_FILE_FORMAT |
|
| CONN_FILE_FORMAT (PSF|UPSF|MOL_SET|GENERATE|OFF|G87|G96|AMBER)
|
| Ways to determine and generate a molecules. Default is to use GENERATE
|
| This optional keyword expects a keyword. Default value: PSF
|
| valid keywords: PSF : Use a PSF file to determine the connectivity. (support standard CHARMM/XPLOR and EXT CHARMM)
UPSF : Read a PSF file in an unformatted way (useful for not so standard PSF).
MOL_SET : Use multiple PSF (for now...) files to generate the whole sytem.
GENERATE : Use a simple distance criteria. (Look at keyword BONDPARM)
OFF : Do not generate molecules. (Use for QS or ill defined systems)
G87 : Use GROMOS G87 topology file.
G96 : Use GROMOS G96 topology file.
AMBER : Use AMBER topology file for reading connectivity (compatible starting from AMBER V.7)
|
| variants: CONNECTIVITY |