Hi, Am I right that calculating thermoforce can only be done with GROMACS engine?
I tried to simply say <program>espressopp</program> but immediately I get an error with statement of missing grompp.mdp file. Are there some significant reason to not use other md engine (like Espresso++) ? Best, Jakub -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
