Skip to content

GitLab

Explore

Sign in

Primary navigation

Project

P

Plumed AlphaFold
- Activity
- Members
- Labels
- Terraform modules
- Incidents
- Service Desk

Snippets Groups Projects

bed354d1

There was an error fetching the commit references. Please try again later.

Commit bed354d1 authored 8 years ago by Gareth Tribello

Downloads
- Patches
- Plain Diff

Added reference class that can calculate the intermolecular DRMSD

parent c84aad88

No related branches found

No related tags found

No related merge requests found

Changes 13

Hide whitespace changes

Inline Side-by-side

Showing

regtest/basic/rt-drmsd/Makefile 1 addition, 0 deletions

regtest/basic/rt-drmsd/Makefile
regtest/basic/rt-drmsd/colvar.reference 6 additions, 0 deletions

regtest/basic/rt-drmsd/colvar.reference
regtest/basic/rt-drmsd/config 4 additions, 0 deletions

regtest/basic/rt-drmsd/config
regtest/basic/rt-drmsd/plumed.dat 15 additions, 0 deletions

regtest/basic/rt-drmsd/plumed.dat
regtest/basic/rt-drmsd/test0.pdb 9 additions, 0 deletions

regtest/basic/rt-drmsd/test0.pdb
regtest/basic/rt-drmsd/test1.pdb 4 additions, 0 deletions

regtest/basic/rt-drmsd/test1.pdb
regtest/basic/rt-drmsd/test2.pdb 4 additions, 0 deletions

regtest/basic/rt-drmsd/test2.pdb
regtest/basic/rt-drmsd/test3.pdb 8 additions, 0 deletions

regtest/basic/rt-drmsd/test3.pdb
src/colvar/DRMSD.cpp 28 additions, 8 deletions

src/colvar/DRMSD.cpp
src/reference/DRMSD.cpp 5 additions, 4 deletions

src/reference/DRMSD.cpp
src/reference/DRMSD.h 2 additions, 0 deletions

src/reference/DRMSD.h
src/reference/ReferenceAtoms.cpp 2 additions, 2 deletions

src/reference/ReferenceAtoms.cpp
src/reference/ReferenceAtoms.h 1 addition, 1 deletion

src/reference/ReferenceAtoms.h

with 89 additions and 15 deletions

Loading

0% Loading or .

You are about to add 0 people to the discussion. Proceed with caution.

Finish editing this message first!

Please register or sign in to comment