[gmx-users] VCM

[Michal Kolinski]

Thank you for your comments.   I'm using  center of mass motion removal for each lipid (PE PS PC) and for solvent. I guess it should remove VCM of these groups, is there anything else I could do?  

 

 


>> ; Groups for center of mass motion removal>> comm-grps            = PC  PE PS   SOL Na>> ; Mode for center of mass motion removal>> comm-mode            =  Linear>> ; Center of mass control>> nstcomm              =  1   

How can I couple the membrane and the solvent separately?

  > ; Berendsen temperature coupling is on in two groups> Tcoupl              =  berendsen> tc-grps             =  PC  PE PS   SOL Na> tau_t               =  0.1   0.1   0.1  0.1 0.1> ref_t               =  310 310 310 310 310> ; Energy monitoring> energygrps          = PC  PE PS   SOL Na> ; Isotropic pressure coupling is now on> Pcoupl              =  berendsen> Pcoupltype          = semiisotropic> tau_p               =    20         20> compressibility     =  4.5e-5    4.5e-5> ref_p               =  1.0  1.0 Thank you for help!
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