AMBER Archive (2002) - Apr 2002 By Subject148 messages sorted by:
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Starting: Mon Apr 01 2002 - 01:30:24 CST
Ending: Tue Apr 30 2002 - 23:43:31 CDT
- (no subject)
- 4 Medicinal and Computational Chemistry Candidates
- a more general question
- a problem
- about ew_legal.h
- About Group in Carnal
- About the sander_classic calculation
- again...Minimization of pentane holding a plane of carbon atoms
- Amber in a distributed environment
- amber6 with parallel
- amber7 and tip5p
- Amber7 and VMD
- amber7 compilation on a beowulf cluster
- Amber7 compilation on IBM sp3 machine
- amber7, PME and anisotrop press.
- compiling amber 6.0 in a Sun starfire ENT10000
- Compiling Amber7 on a Beowulf Cluster - Compiling Error
- compiling error.
- convergence of MD simulations
- DME and Carnal with AMBER6
- DNA shifts during MD; C.O.M. removing and ptraj doesn't help...
- DNA structure get distorted
- does PME function without charge neutralization?
- dummy atoms.
- Fail message:Segmantation fault and Bus error?
- Follow distances during MD
- generating left-handed A-DNA
- help ..problem about antechamber
- Help! Sander run error: Bus error
- heterochirical peptides ?
- How to run the leap module
- IFBOX=0 error in amber7
- Initial Amber 7 benchmark timings
- input files
- install leap not working
- INTPRT and PMF
- leap bugfix
- Matching Patterns
- max_rstack requested
- Minimization of pentane holding a plane of carbon atoms
- mm pbsa: generate snapshots
- mm_pbsa for uhbd
- MPICH and AMBER 7
- NaCl concentration
- new residues
- noesy intensity input in DNA
- NTT=5?
- Number of WATBOX
- order parameters?
- parallel sander?
- parmjoin
- PDB file with CONECT record
- PDB file with CONECT record (fwd)
- pentane minimization
- pentane minimization...again
- PMF calculations
- Problems with AMBER7 and Multiple Processors on SGI servers
- Recalculating energies
- RESP
- RESP charges
- RESP on Deoxy-ADE
- RESP tutorial
- RESP-ivary
- Roar 2.1 with Amber7
- sander & prmtop file generated from antechamber input ?
- sander mpich hangs
- Sander-Gibbs
- Save from LEaP to a PDBQ file ?
- Thanks
- TIP4P parameters
- To PROFEC users
- valine to alanine example
- Vulgar Models Do Everything And Love It!!!
- your mail
Last message date: Tue Dec 31 2002 - 15:51:31 CST
Archived on: Thu May 05 2005 - 14:17:26 CDT
148 messages sorted by:
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