fb16dfecae
Commit b7f05445c0 has added WWW entries to port Makefiles based on
WWW: lines in pkg-descr files.
This commit removes the WWW: lines of moved-over URLs from these
pkg-descr files.
Approved by: portmgr (tcberner)
15 lines
1.0 KiB
Plaintext
15 lines
1.0 KiB
Plaintext
MDynaMix is a general purpose molecular dynamics code for simulations of
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mixtures of rigid or flexible molecules, interacting by standard
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molecular-mechanics force field including electrostatic and Lennard-Jones
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potentials for electrostatic interactions as well as terms describing covalent
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bonds, angles and dihedral angles. The program is well suited for simulations of
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flexible molecules based on the double time step algorithm. Alternatively, rigid
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bonds can be treated by the SHAKE algorithm. Algorithms for NVE, NVT, NPT and
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anisotropic NPT ensembles are implemented. The long-range electrostatic
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interactions are treated by the Ewald summation method, or alternatively by a
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reation field or simple cutoff. The program can be run both in sequential and
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parallel execution, in the latter case the MPI parallel environment is required.
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From v.5.1 possibility for taking into account quantum motion of nuclei using
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Path Integral approach is implemented. Expanded ensemble mode of simulations for
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calculation of solvation free energies is added in v.5.2.
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