Update RAMD to version 5.0.4 54/4554/2
authorDavid <dhardy@ks.uiuc.edu>
Fri, 7 Sep 2018 19:29:48 +0000 (14:29 -0500)
committerDavid <dhardy@ks.uiuc.edu>
Fri, 7 Sep 2018 20:42:02 +0000 (15:42 -0500)
commit500d7e459dd363b0d1c7fe55ce7bef4c0a177ce0
treeb9dcbd19ffeee5a7d734909b03267ffeaafdf3fe
parent67c085008a64160d73b74c7fe8af3ed85de06bee
Update RAMD to version 5.0.4

Updated scripts for RAMD to version 5.0.4 that has been tested
successfully with NAMD versions 2.10 and 2.12.  Retained earlier scripts
in directory ramd-4.1.

From the website: t-random acceleration molecular dynamics (tRAMD) is a
protocol for the ranking of drug candidates by their residence time and
obtaining insights into ligand-target dissociation mechanism.
https://www.h-its.org/downloads/ramd/

Contributed by Stefan Richter and Rebecca Wade.

Change-Id: If9c0decf899570d0eb04dd04d03c088701f965fc
14 files changed:
lib/ramd-4.1/README [moved from lib/ramd/README with 100% similarity]
lib/ramd-4.1/examples/README.examples [moved from lib/ramd/examples/README.examples with 100% similarity]
lib/ramd-4.1/examples/example_ramd-md_output/example_ramd-md.namdout [moved from lib/ramd/examples/example_ramd-md_output/example_ramd-md.namdout with 100% similarity]
lib/ramd-4.1/examples/example_ramd_output/example_ramd.namdout [moved from lib/ramd/examples/example_ramd_output/example_ramd.namdout with 100% similarity]
lib/ramd-4.1/examples/run_ramd-md_example.sh [moved from lib/ramd/examples/run_ramd-md_example.sh with 100% similarity]
lib/ramd-4.1/examples/run_ramd_example.sh [moved from lib/ramd/examples/run_ramd_example.sh with 100% similarity]
lib/ramd-4.1/scripts/ramd-4.1.tcl [moved from lib/ramd/scripts/ramd-4.1.tcl with 100% similarity]
lib/ramd-4.1/scripts/ramd-4.1_script.tcl [moved from lib/ramd/scripts/ramd-4.1_script.tcl with 100% similarity]
lib/ramd-4.1/scripts/vectors.tcl [moved from lib/ramd/scripts/vectors.tcl with 100% similarity]
lib/ramd-5.0.4/README [new file with mode: 0644]
lib/ramd-5.0.4/make_distribution.sh [new file with mode: 0755]
lib/ramd-5.0.4/tcl/README [new file with mode: 0644]
lib/ramd-5.0.4/tcl/ramd-5.tcl [new file with mode: 0644]
lib/ramd-5.0.4/tcl/ramd-5_script.tcl [new file with mode: 0644]