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GUIMainwindow

Ismael Rodriguez Espigares
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GUI Main window

  1. Browse for a structure file in your filesystem.
  2. Browse for a trajectory file in your filesystem.
  3. Set the appropiate "Wrap command" for your system.
  4. Check that lipid resnames in your system are in the configuration file. If they are not, add them to the configure file, restart VMD, and repeat all the steps above. As an alternative, you can use "custom resnames" option (lipid resnames are only needed for Membrane SCD and Lipid Tilt).
  5. Now, you are ready to lunch any analysis tool (except the external Diffusion Coefficient and Density Profile tools).

Important Note: It is required that VMD could read connectivity/bond information from structure file or that bonds are properly guessed by VMD.


Related

Discussion: Errors stopping SCD calculation
Discussion: atomselect: cannot parse selection text: index (= empty atom selection), lipid residue names not included in membplugin_lipid macro
Discussion: atomselect: cannot parse selection text: index (= empty atom selection), lipid residue names not included in membplugin_lipid macro
Wiki: Home
Wiki: LipidTilt
Wiki: ScdOrderParameter

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