Messages

1

RNA structures (DSSR) / Re: Centre of Mass Pseudodihedral Angle

« on: April 03, 2018, 11:10:11 am »

 i am talking about COM pseudo dihedral angle, a restraint co-ordinate for doing umbrella sampling. here we restraining COM of two sugar molecule above target base, one sugar molecule below of it and the target base. For further understanding you can see the attachment.

2

RNA structures (DSSR) / Centre of Mass Pseudodihedral Angle

« on: April 03, 2018, 07:58:19 am »

Hi,
 
I have a silly question. I am very new in this field, I am trying to simulate a RNA structure. For that I need to measure the CPD (Centre of Mass Pseudodihedral Angle) angle of RNA. But some how I am not getting it in dssr-torsion.txt. Can anyone  please suggest how to find it or how to calculate it
Thank you in advance