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howto:gemc [2015/07/14 20:40] – [What is GEMC] 130.18.126.132howto:gemc [2015/07/14 20:41] – [Files required to run GEMC] 130.18.126.132
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 ==== Files required to run GEMC==== ==== Files required to run GEMC====
-In order to run GEMC certain input files are needed; the two main input files for each box {{gemc_nvt_box1.inp.zip}}{{gemc_nvt_box2.inp.zip}}, a topology file{{topology_atoms_wat.psf.zip}} for the particular component, and a bias file that contain information of the approximate potential for that component.{{bias_template.inp.zip}}. For example, we have provided sample files for 64 water molecules.+In order to run GEMC certain input files are needed; the two main input files for each box {{gemc_nvt_box1.inp.zip}}{{gemc_nvt_box2.inp.zip}}, a topology file{{topology_atoms_wat.psf.zip}} for the particular component, and a bias file that contain information of the approximate potential for that component.{{bias_template.inp.zip}}. For example, we have provided here the sample files for 64 water molecules.
  
 ==== Sample of input files==== ==== Sample of input files====
howto/gemc.txt · Last modified: 2024/01/03 13:07 by oschuett