mosdef-dihedral-fit

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An open-source, transparent, and lightweight Python software package capable of fitting dihedrals with QM calculations for existing forces fields. This software fits the Optimized Potentials for Liquid Simulations (OPLS) style dihedrals, then also analytically converts them to the periodic dihedral and Ryckaert-Bellemans (RB) torsion.

Copied fromcf-post-staging / mosdef-dihedral-fit

noarch/mosdef-dihedral-fit-0.2.0-pyhd8ed1ab_0.conda

conda

0.2.0

noarch

main

Feb 15, 2026, 06:36 PM

71.83 KB

213

noarch/mosdef-dihedral-fit-0.1.13-pyhd8ed1ab_2.conda

conda

0.1.13

noarch

main

Aug 2, 2025, 05:33 PM

71.37 KB

519

noarch/mosdef-dihedral-fit-0.1.13-pyhd8ed1ab_1.conda

conda

0.1.13

noarch

main

Jan 19, 2025, 07:29 PM

70.53 KB

947

noarch/mosdef-dihedral-fit-0.1.13-pyhd8ed1ab_0.conda

conda

0.1.13

noarch

main

Dec 6, 2024, 11:30 AM

70.83 KB

1.1K

noarch/mosdef-dihedral-fit-0.1.12-pyhd8ed1ab_0.conda

conda

0.1.12

noarch

main

Dec 4, 2024, 12:14 AM

70.26 KB

1.1K

noarch/mosdef-dihedral-fit-0.1.11-pyhd8ed1ab_0.conda

conda

0.1.11

noarch

main

Dec 3, 2024, 12:59 PM

70.74 KB

1.2K

noarch/mosdef-dihedral-fit-0.1.10-pyhd8ed1ab_0.conda

conda

0.1.10

noarch

main

Dec 2, 2024, 11:32 AM

70.29 KB

1.1K

noarch/mosdef-dihedral-fit-0.1.7-pyhd8ed1ab_0.conda

conda

0.1.7

noarch

main

Nov 13, 2024, 08:48 AM

70.78 KB

1.3K

noarch/mosdef-dihedral-fit-0.1.2-pyhd8ed1ab_0.conda

conda

0.1.2

noarch

main

Oct 28, 2024, 09:17 PM

70.63 KB

1.1K

noarch/mosdef-dihedral-fit-0.1.1-pyhd8ed1ab_0.conda

conda

0.1.1

noarch

main

Oct 13, 2024, 08:55 PM

70.48 KB

1.2K

noarch/mosdef-dihedral-fit-0.1.0-pyhd8ed1ab_0.conda

conda

0.1.0

noarch

main

Oct 11, 2024, 08:41 AM

70.18 KB

1.2K

noarch/mosdef-dihedral-fit-0.0.3-pyhd8ed1ab_1.conda

conda

0.0.3

noarch

main

Aug 23, 2024, 11:23 AM

58.17 KB

1.3K

noarch/mosdef-dihedral-fit-0.0.3-pyhd8ed1ab_0.conda

conda

0.0.3

noarch

main

Mar 27, 2024, 04:38 PM

58.16 KB

1.6K

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