[AMBER] parameter for modified residue

From: sangita kachhap <sksan26.gmail.com>
Date: Mon, 18 May 2020 18:32:01 +0200

Dear All,

I am working on glycated oxy-hemoglobin.
I have generated parameters for oxy-heme and N-terminal glycated-Valine.
But when I am generating .prmtop and .inpcrd file, leap adding a "TER" card
between N-terminal glycated-Valine (first residue) and Histidine (second
residue).

Since TER is adding within the chain, will it be problematic for further MD
simulation?



Thanks

Best regards

----------------------------------------------
Sangita Kachhap
Post Doctoral FellowJerzy Haber Institute of Catalysis and Surface Chemistry
Polish Academy of Sciences
Niezapominajek 8
PL-30239 Krakow, Poland

----------------------------------------------
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon May 18 2020 - 10:00:01 PDT
Custom Search