Document details
| Property | Value |
| Name | topolbuild1_1_2 |
| Description | Reads a Tripos .mol2 file with charges to generate something approximating a gromacs .gro and .itp from it based on an all-atoms force field. Does not work at this time with a united atoms force field. Only amber and gaff force fields have the necessary tables at this time. Requires that the .mol2 file have syntactically correct Tripos atom types and absolutely will not work with other input atom types. Further revisions both to improve the topologies produced and to be compatible with the new versions of the antechamber tables released with AmberTools 1.0.
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| Filename | topolbuild1_1_2.tgz |
| Filesize | 182.77 KB |
| Filetype | tgz (Mime Type: application/x-compressed-tar) |
| Creator | brucedray |
| Created On: | 10.07.2008 00:05 |
| Viewers | Everybody |
| Maintained by | |
| Hits | 187 Hits |
| Last updated on | 10.07.2008 00:14 |
| Homepage |




