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Commit 26153011 authored by carlocamilloni's avatar carlocamilloni
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Merge branch 'v2.4'

parents a9cc06f9 7d4cc176
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......@@ -73,6 +73,14 @@ MOLINFO STRUCTURE=helix.pdb
hh: ALPHARMSD RESIDUES=all
\endplumedfile
Here the same is done use RMSD instead of DRMSD
\plumedfile
MOLINFO STRUCTURE=helix.pdb
WHOLEMOLECULES ENTITY0=1-100
hh: ALPHARMSD RESIDUES=all TYPE=OPTIMAL R_0=0.1
\endplumedfile
*/
//+ENDPLUMEDOC
......
......@@ -72,9 +72,16 @@ protein that are in an antiparallel beta sheet configuration.
\plumedfile
MOLINFO STRUCTURE=beta.pdb
ab: ANTIBETARMSD RESIDUES=all STRANDS_CUTOFF=1
ab: ANTIBETARMSD RESIDUES=all STRANDS_CUTOFF=1
\endplumedfile
Here the same is done use RMSD instead of DRMSD
\plumedfile
MOLINFO STRUCTURE=helix.pdb
WHOLEMOLECULES ENTITY0=1-100
hh: ANTIBETARMSD RESIDUES=all TYPE=OPTIMAL R_0=0.1 STRANDS_CUTOFF=1
\endplumedfile
*/
//+ENDPLUMEDOC
......
......@@ -75,6 +75,14 @@ MOLINFO STRUCTURE=beta.pdb
pb: PARABETARMSD RESIDUES=all STRANDS_CUTOFF=1
\endplumedfile
Here the same is done use RMSD instead of DRMSD
\plumedfile
MOLINFO STRUCTURE=helix.pdb
WHOLEMOLECULES ENTITY0=1-100
hh: PARABETARMSD RESIDUES=all TYPE=OPTIMAL R_0=0.1 STRANDS_CUTOFF=1
\endplumedfile
*/
//+ENDPLUMEDOC
......
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