Comments (1)
The code cited, trudge.f, is a simplex optimization routine found in the /other directory of the distribution. The /other directory distributed with Tinker contains old, unused routines or incomplete demonstration codes. None of this code is used as part of the main Tinker distribution, and in most cases it is not updated to maintain compatibility with current releases. They are provided simply as a historical record and in the hope that someone who needs one of those routines might be willing to update it for use with current Tinker or some other project.
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Related Issues (20)
- Bug in potential fitting HOT 3
- Atomic Polarizability Calculation HOT 1
- Anisotropic Polarizability HOT 1
- Boiling point and melting point
- install need glibc 2.35 HOT 4
- PDBXYZ assigns wrong atom types for N-terminal prolines that are not in the first chain HOT 1
- Potential typo in MM3 silicon equilibrium angle HOT 5
- Error in printing solute keywords in key file HOT 1
- about tinker toturials HOT 2
- Query regarding use of poledit HOT 2
- Wrong atom type for terminal Gly in multiple chains HOT 1
- OPLSAA-M torsional parameters in oplsaam.prm file. HOT 1
- Facing issue in the energy minimization of small system HOT 1
- Zn ion is not getting converted HOT 1
- Wrong number in oplsaa.prm file HOT 1
- analyze issue with TIP5P HOT 3
- Optimize issue with TIP5P? HOT 1
- cation.run attempts to run the command 'bar' without the prefix ../bin/ HOT 1
- https://dasher.wustl.edu/tinker/downloads/tinker-8.11.2.tar.gz has changed, is this intentional or was your system hacked? HOT 3
- Test sample aborts early when built with LTO HOT 1
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