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    Optimising OpenMP implementation of MD modelling package Tinker

    06 August 2014

    Optimising OpenMP implementation of MD modelling package Tinker Posted by a.hay on 6 August 2014 - … performance of a computational chemistry package – TINKER , as part of the EPCC/SSI APES project. TINKER can be used to perform molecular modelling and …

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    Monkeying around with chemistry: the APES project

    18 June 2013

    … packages used in computational chemistry, such as TINKER , Amber , DL_POLY , ONETEP and Q-Chem … , my main contribution will be to parallelise TINKER . This will allow the software to take advantage of … polarisable empirical force field implemented in TINKER and Amber  that  provides good results in a …

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    That Picture! - CW15 software word cloud and dataset now available for your use

    10 July 2015

    … data set is licensed as CC-BY so you have the freedom to tinker. If you do anything new with the dataset …

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    The Software Sustainability Institute: changing research software attitudes and practices

    06 October 2023

    … (AMOEBA), Open Molecular Mechanics (OpenMM), and TINKER. Software permeates all disciplines and all stages …

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