粗粒化-- Martini-- ‘[moleculetype]‘ Invalid order for directive moleculetype

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最新推荐文章于 2024-11-05 21:57:01 发布 · 1.5k 阅读

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#模拟 #gromacs

[user@localhost bilayer-lipidome]$ gmx grompp -f minimization.mdp -c 128_noW.gro -p dppc.top -o dppc-min-init.tpr
                      :-) GROMACS - gmx grompp, 2021.1 (-:

                            GROMACS is written by:
     Andrey Alekseenko              Emile Apol              Rossen Apostolov
         Paul Bauer           Herman J.C. Berendsen           Par Bjelkmar
       Christian Blau           Viacheslav Bolnykh             Kevin Boyd
     Aldert van Buuren           Rudi van Drunen             Anton Feenstra
    Gilles Gouaillardet             Alan Gray               Gerrit Groenhof
       Anca Hamuraru            Vincent Hindriksen          M. Eric Irrgang
      Aleksei Iupinov           Christoph Junghans             Joe Jordan
    Dimitrios Kark