GaMD in NAMD

GaMD patch for NAMD2.11

You can click the following link for a patch that adds temporay support to NAMD 2.11: GaMD_NAMD.tar

Installation

1. Replace the four NAMD2.11 source code files with those from the directory "./src_namd2.11": "Controller.h", "Controller.C", "SimParameters.h" and "SimParameters.C"

2. Re-compile NAMD following the original instructions: http://www.ks.uiuc.edu/Research/namd/


Precompiled GaMD-NAMD:

On XSEDE Comet:
/home/yin/namd_gamd-comet/namd_2.11-gamd/Linux-x86_64-icc/namd2

On XSEDE Gordon:
/home/yin/namd_gamd/namd_2.11-gamd/Linux-x86_64-icc/namd2

Reference:

Yui Tik Pang, Yinglong Miao, Yi Wang and J. Andrew McCammon (2016), Gaussian Accelerated Molecular Dynamics in NAMD. In Reivew


Copyright Reserved © Yinglong Miao
Last updated: Tue, November 22, 2016