Respected Sir,
I am new to gromacs. Am using GROMACS 4.5.5 version. I
have two questions..
1. I want to know about plotting the co-ordination number (CN) of the water
molecules around one of my substrate say a KCl molecule for example. What
should i do to get the CN number.
2. I have three different substrates. I want to create a same box size
irrespective of the size of my molecule and generate same number of water
molecules around them. What should I do?
Thanking in advance.
Anik
========================================================
Anik Sen
Student
CSIR-Central Salt & Marine Chemicals Research Institute,
Gijubhai Badheka Marg.
Bhavnagar, Gujarat 364002
[www.csmcri.org]
========================================================
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