Let me apologize in advance for my question, I am completely new to charmm.
I am currently trying to run K. Vanommeslaeghe and A. D. MacKerell's pyrrolidine tutorial to try and get a basic understanding of the software, however I am running into problems within the first few steps -- the tutorial has the user run the following commands:./remove_pyrrolidine
charmm str:toppar_prld1.str mispar: -i generate_tutorial.inp -o generate1.out
And it claims that the output should contain a list of missing parameters similar to those found in prld_missing1.txt
, however I have nothing like that in my output file, and my error message is instead, the following:"Maximum no. of dihedrals reached"
The tutorial can be found at CHARMM General Force Field Tutorial
, and all the necessary files are located at CGenFF downloads
Does anybody know what might be going wrong?