Prep and frcmod files to be read by LEaP. At the bottom of this page, we provideĪn example ( TP) to demonstrate how to use antechamber programs to generate Journal of Chemical Information and Computer Science. As to algorithmsīeyond those programs, please refer to our paper submitted to Package (circa 2007 for more recent information see theĪmberTools Manual for the latest informationĮxecute the program with the -h option). In the following, we list the usage of the programs in the antechamber
May be useful outside the Amber family of programs as well. The algorithms behind these manipulations As anĪccessory module in the AmberTools package, antechamber can generate inputĪutomatically for most organic molecules in a database. (4) finding missing force field parameters and supplying reasonable and similar substitutes. (2) recognizing bond type (2) judging the atomic equivalence (3) generating residue topology file
Is devoted to solve the following problems during the MM calculations: (1) recognizing the atom type Antechamber is a set of auxiliary programs for molecular mechanic (MM) studies.
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