For example in this paper OH of carboxyl group and Phenolic OH group has same atoms and bond length but slightly different charges.
But How the gromacs will differentiate from the datas it gets Pdb file?
Assuming pdb file contains only coordinates of different atoms.
-- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
- [gmx-users] How Gromacs differentiate same atom pair... 묵타친모이바삭
- Re: [gmx-users] How Gromacs differentiate same ... Justin Lemkul
