[gmx-users] Is it possible to write topology for sp-hybrid nitrogen ?

=?koi8-r?Q?=22?=Alexander Terehov=?koi8-r?Q?=22=20?= al_terehov at mail.ru
Wed Jun 16 15:54:16 CEST 2004

I am trying to add a description of a molecule to OPLS-AA force field and recently I've found that one of its nitrogens is most likely sp-hybrid, that means 180-degree angle between its two bonds and orthogonal location of two planar pi-systems it is involved in. Is it possible to produce an appropriate topology in such case?


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