From 58ef52a9121024b568dae6b9efe03f25ccfed54c Mon Sep 17 00:00:00 2001
From: Dimitris Dellis <ntell@admin.grnet.gr>
Date: Mon, 21 Feb 2022 19:45:01 +0000
Subject: [PATCH] Update README.md : Table for NAMD, recent source lines, links
---
README.md | 18 ++++++++++++++----
1 file changed, 14 insertions(+), 4 deletions(-)
diff --git a/README.md b/README.md
index 584ccd9..0b04f7d 100644
--- a/README.md
+++ b/README.md
@@ -141,7 +141,7 @@ The application codes that constitute the UEABS are:
<tr>
<td>GROMACS
<ul>
- <li><a href="http://www.gromacs.org">Website</a></li>
+ <li><a href="http://www.gromacs.org">website</a></li>
<li><a href="http://www.gromacs.org/Downloads">Source code</a></li>
<li><a href="https://repository.prace-ri.eu/git/UEABS/ueabs/-/tree/r2.2-dev/gromacs">Build and Run Instructions</a></li>
<li><a href="https://repository.prace-ri.eu/ueabs/GROMACS/2.2/GROMACS_TestCaseA.tar.xz">Test Case A</a></li>
@@ -161,8 +161,17 @@ The application codes that constitute the UEABS are:
GROMACS supports all the usual algorithms you expect from a modern molecular dynamics implementation.</td>
</tr>
<tr>
- <td>NAMD</td>
- <td>1,992,651</td>
+ <td>NAMD
+ <ul>
+ <li><a href="http://www.ks.uiuc.edu/Research/namd/">website</a></li>
+ <li><a href="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD">Source code</a></li>
+ <li><a href="https://repository.prace-ri.eu/git/UEABS/ueabs/-/tree/r2.2-dev/namd">Build and Run Instructions</a></li>
+ <li><a href="https://repository.prace-ri.eu/ueabs/NAMD/2.2/NAMD_TestCaseA.tar.xz">Test Case A</a></li>
+ <li><a href="https://repository.prace-ri.eu/ueabs/NAMD/2.2/NAMD_TestCaseB.tar.xz">Test Case B</a></li>
+ >li><a href="https://repository.prace-ri.eu/ueabs/NAMD/2.2/NAMD_TestCaseC.tar.xz">Test Case C</a></li>
+ </ul>
+ </td>
+ <td>887,547</td>
<td>X</td>
<td>X</td>
<td>X</td>
@@ -170,7 +179,8 @@ GROMACS supports all the usual algorithms you expect from a modern molecular dyn
<td></td>
<td></td>
<td>X</td>
- <td></td>
+ <td>NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. Based on Charm++ parallel objects, NAMD scales to hundreds of cores for typical simulations and beyond 500,000 cores for the largest simulations. NAMD uses the popular molecular graphics program VMD for simulation setup and trajectory analysis, but is also file-compatible with AMBER, CHARMM, and X-PLOR. NAMD is distributed free of charge with source code.
+ </td>
</tr>
<tr>
<td>NEMO
--
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