[AMBER] use of parmbsc0 for protein-DNA complex along with ff99SB

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Mon, 4 Feb 2013 18:09:14 +0530 (IST)

Hello All,
I have a small query regadring force field. parmbsc0 is modified force filed of
ff99 for DNA and it is used with ff99SB for MD simulation of DNA.
Since irreversible α/γ transitions from the canonical to a non-canonical
sub-state, accompanied by severe distortions of the structure associated with
ff99 thus to remove this it was modeify to parmbsc0.

So I have one query should I use parmbsc0 along with ff99SB when doing MD
simulation of protein-DNA complex?


With regards
Sangita Kachhap
SRF
BIC,IMTECH
CHANDIGARH

______________________________________________________________________
सूक्ष्मजीव प्रौद्योगिकी संस्थान (वैज्ञानिक औद्योगिक अनुसंधान परिषद)
Institute of Microbial Technology (A CONSTITUENT ESTABLISHMENT OF CSIR)
सैक्टर 39 ए, चण्डीगढ़ / Sector 39-A, Chandigarh
पिन कोड/PIN CODE :160036
दूरभाष/EPABX :0172 6665 201-202

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 04 2013 - 05:00:04 PST
Custom Search