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Document details
Details for topolbuild
| Property | Value |
| Name | topolbuild |
| Description | Builds a Gromacs topology from a Tripos .mol2 file and a force field selected from gaff, amber## (where ## is the two digit year), or Tripos (when available). Uses the files in the antechamber-1.27 dat directories dat/antechamber and dat/leap/parm to build gaff or amber## based topologies. Uses the TAFF* files in the directory pointed to by Tripos variable $TA_ASCTABLES to build Tripos force field based topologies. Has an option for renumbering of atoms and residues to decrease the amount of editing needed to add ligands to a system. Has an option to allow use of measured values for bond lengths and angles. Converts distance restraints in the .mol2 file to Gromacs distance restraints. Has potential expandability to other all atom force fields with addition of appropriate atom type definition files. |
| Filename | topolbuild.tgz |
| Filesize | 70 KB |
| Filetype | tgz (Mime Type: application/x-compressed-tar) |
| Creator | All registered users |
| Created On: |
17.08.2007 22:15 |
| Viewers | Everybody |
| Maintained by | |
| Hits | 1317 Hits |
| Last updated on |
17.08.2007 22:33 |
| Homepage | |
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