From: Oleksii Zdorevskyi (zdorevskyi_at_bitp.kiev.ua)
Date: Wed Jun 24 2020 - 01:29:50 CDT
I need to perform an npt simulation where the system volume can change
only along x and y axes, but must be constant along z direction.
As known from the NAMD manual, there are options useConstantRatio and
useConstantArea that fix either the ratio or the dimensions of the x-y
In other words, these options allow fluctuations either in one or in three
However, as I mentioned above, for my purposes I need to allow all the
changes along the two dimensions (x and y), but the third one (z axis)
must be fixed.
Could you give me an idea if NAMD does have some options to implement this?
Thanks in advance.
This archive was generated by hypermail 2.1.6 : Thu Dec 31 2020 - 23:17:13 CST