AMBER Archive (1999) - By Subject145 messages sorted by:
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Starting: Sun Jan 10 1999 - 17:44:17 CST
Ending: Tue Dec 21 1999 - 16:45:22 CST
- (no subject)
- 10-12 potential option
- 3 or more body interaction.
- [Newbie]MacOS X Server with Amber?
- about setting up INITIAL STATE containing dummy atoms in FEP calc
- About the 'mixing' rule of nonbonded parameters
- About the nonbonded parameters
- addles question
- Addtional impropers? (fwd)
- AMBER FF in Gaussian98
- Amber on alfa
- AMBER version 6.0
- ANAL QUestion!
- ANAL Questions!
- atom types
- carnal
- CARNAL RMS fits have large >50A deviations!
- charged solute
- charmm format
- Cl parameters
- Compiling Leap (Amber 5.0) under Linux
- Compiling with g77/LAM on RH linux 6.1
- Counterions
- creating a box of solvent
- crown tutorial
- CT atom type in leap with the weiner ff
- Curve decomposition
- Cyclic AMP
- dipolar coupling restraints
- distance constraints
- distance restraint and ibelly
- DS10
- electrostatic interactions
- energy decomposition
- equilibration of water
- erfc math library bug: gnu libm)
- File conversion: Amber 5.0 to 4.1
- FORCE UNIT
- gibbs restraint ?
- gibbs+PME+PMF
- H-bond monitor
- H2O to keep?.... (fwd)
- Help on installing LEaP
- heme group
- high temperature MD
- how to find water in solute in a long trajectory?
- Input for 10-12 potential parameters.
- installing sander on T3E
- Interface
- Large RMS deviations
- leap
- link
- MACHINE file
- MACHINE file to use
- MD-example, please?
- mdcrd and ptraj
- Mg2+ parameters
- minimization
- more on RMS fits
- multiplicity
- N3 vdW parameters
- NADH
- new book in computational chemistry
- nmode in amber5
- nmode memory?
- Normal mode analysis - breathing motion?
- Nucleic Acid Builder (NAB)
- optimizing link atoms in roar
- output of xleap
- parametrers....
- parm98.dat
- PC clusters running AMBER
- Peter Slickers
- pgc compilation error...
- PME question
- PMF calculations using Ewald
- Problem with bench test on PIII450
- Problems for Energy 1,4
- Problems on Alpha: Too slow
- question
- Question on Ewald and Belly!
- references for MD simulations of mutations
- Refining docking
- Regarding the maximum value of N3B
- Request for the bugfixes
- residue (re)numbering in leap.
- RMS
- RMS fit summary
- RNA
- roar
- Sander
- saving parameters in LEaP
- Size-Problem
- Solvated protein...
- Solvent - solute interactions
- solvent box
- solvent diffusion problem solved
- Solvent equilibration problem
- SPASM software...
- stream output
- system translation in PBC
- VDW parameters of Sulfone and sulfoxide
- Viewing dynamic output
- viewing md trajectory of a big system
- visualization on DEC/COMPAQ ALPHA
- xleap problem
Last message date: Tue Dec 21 1999 - 16:45:22 CST
Archived on: Thu May 05 2005 - 14:17:03 CDT
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