VMD-L Mailing List
From: Rajahmundry Ganesh Kumar ch20d408 (ch20d408_at_smail.iitm.ac.in)
Date: Mon Nov 04 2024 - 06:37:36 CST
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1. While calculating g(r), how bulk volume is incorporated in it ? (as
volume shows “0” )
[image: image]
Is there any source of how g(r) is calculated in VMD ?
2.How to calculate running coordination number n(r) from VMD ? (i.e
n(r) vs r)
- Next message: Joel Subach: "Re: ffTK Water Int Tab .inp File dropping the Charge Value from -2 to 0 Inquiry?"
- Previous message: Joel Subach: "ffTK Water Int Tab .inp File dropping the Charge Value from -2 to 0 Inquiry?"
- Next in thread: Diego Gomes: "Re: Volume considered in calculation of g(r)"
- Reply: Diego Gomes: "Re: Volume considered in calculation of g(r)"
- Reply: Axel Kohlmeyer: "Re: Volume considered in calculation of g(r)"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]