Dear Votca Users,
I have the following warning while I run IBI. I have four dihedral potentials from d1 to d4. I have only d1 warning out of four. Would you let me know what this warning mean and affect resulting in obtaining potentials? WARNING: For the 359 non-zero entries for table 0 in table_d1.xvg the forces deviate on average 194% from minus the numerical derivative of the potential Thank you. Best regards, Changwoon Jang, -- 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 https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
