Comments (5)
GoogleCodeExporter
commented on September 15, 2024
Is related to issue 28
Original comment by [email protected] on 3 Dec 2010 at 9:58
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GoogleCodeExporter
commented on September 15, 2024
Original comment by [email protected] on 21 Jan 2011 at 10:20
- Added labels: Component-Csg-Scripts
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GoogleCodeExporter
commented on September 15, 2024
Original comment by [email protected] on 21 Feb 2011 at 8:23
- Added labels: Milestone-Release1.3
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GoogleCodeExporter
commented on September 15, 2024
Original comment by [email protected] on 5 Jul 2011 at 4:17
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GoogleCodeExporter
commented on September 15, 2024
We have added a pre simulation step for gromacs, which serves the purpose of
minimization.
Doing really multiple simulations per step (in parallel) would be to
complicated, but it is also not needed as we have decided against adding pmf or
genetic algorithm to csg as they do not really fit in the scope of csg_inverse.
Original comment by [email protected] on 15 Sep 2011 at 3:12
- Changed state: Fixed
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Related Issues (20)
- Build with gmx-2021 is broken
- Ubuntu 20 Segmentation fault HOT 11
- lammpsdatareader: detect wrong atom type HOT 9
- GROMACS File Readers HOT 15
- CMake VERSION needs to be bumped in master HOT 1
- IMC multicomponent working? HOT 19
- Error during IBI csg Tutorial of liquid Hexane HOT 4
- Issue with ibi_lammps tutorial HOT 8
- Fork bomb by csg_inverse if shared library missing HOT 13
- build with gromacs master fails HOT 7
- lammpsreader fails on files with windows line endings HOT 5
- Parse xml descriptions into rst HOT 14
- csg_boltzmann exclusions creation broken
- csg_orientcorr.rst:17: WARNING: Definition list ends without a blank line; unexpected unindent. HOT 2
- 1.6.3 fails to build: use of undeclared identifier 'bind2nd' HOT 4
- Codecoverage HOT 2
- error: no member named 'bind2nd' in namespace 'std' HOT 5
- minor website issues HOT 1
- csg-stat does not read bead masses if they are certain numbers HOT 13
- Problem with running csg_stat on IBI simulation of polymer HOT 12
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