Dear all,
what is the reason, that the tabulated potential must go till r_c+1 (r_c
= cut-off radius) and not only up to r_c?
I think we only calculate the interactions till r_c and truncate the
rest. So everything behind r_c would be redundant information (due to
the truncation it would be set to 0).
If this would be right, i could fill everything from r_c to r_c+1 with
0's, but this sounds to easy.
Greetings
Thomas
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
