[gmx-users] bond sequence and improper angles

[Andrea Spitaleri]

Hi there,

I have a very quick question: in rtp file the improper definition 
depends on the bond sequence? I mean:

[ bonds ]

C1 C2
C2 C3
C3 C4

[ impropers ]

C1 C4 C3 C2

is identical to this:

[ bonds ]

C2 C1  ; swap
C3 C2  ; swap
C3 C4

[ impropers ]

C1 C4 C3 C2

No info in the manual.

Thanks

Andrea

-- 
Andrea Spitaleri PhD
Computational mOdelling of NanosCalE and bioPhysical sysTems - CONCEPT Lab
ISTITUTO ITALIANO DI TECNOLOGIA
Via Morego 30, 16163 - Genova, Italy
http://it.linkedin.com/in/andreaspitaleri
https://www.researchgate.net/profile/Andrea_Spitaleri
https://iit.it/andrea-spitaleri
cell: +39 3485188790

ORCID: http://orcid.org/0000-0003-3012-3557