From: HEMANTH H 18310019 (hemanth.h_at_iitgn.ac.in)
Date: Sat Nov 10 2018 - 07:14:49 CST
You can generate the parameters by two methods, 1. You can write a patch to
create the required nucleobase from the available parameters in CHARMM.
2. You can use CHARMM-GUI for creating the parameters, but do look out for
the penalties associated, in most cases you might need to perform some
validation for the values that CHARMM-GUI gives you.
On Sat 10 Nov, 2018, 6:37 PM Shivangi Nangia <
> Where can I find CHARMM36 parameters for individual nucleobases.
> There is a RESI for AMP (Adenine Mono phosphate) in top_all36_cgenff.rtf
> and URAC for Urcail (not with the sugar attached).
> There are various other RESI where cytosine is attached to other moities
> RESI NUSC 0.00 ! C9H13N3O4 nucleoside with cytosine)
> I need parameters for cytidine monophosphate, uradine monophosphate,
> thymidne monophosphate.
> Many thanks in advance for the help.
This archive was generated by hypermail 2.1.6 : Tue Dec 10 2019 - 23:20:17 CST