Dear All,
Recently, I found that there is pressure difference between the xsd file and the end frame of xtd file obtained as final results of Forcite dynamics caculation.
When I checked the outpu text, the final pressure is same with the end frame of xtd, but different with the xsd file.
This seems to be related with the discussion, https://community.accelrys.com/message/6427#6427.
However, in my case, there is no fixed atom.
Since I have generally used the end frame of xtd file as a input file for the next calculation, instead of xsd file, this difference makes me confused and bewildered.
Could anyone please give me an advice for this problem ?
Thanks in advance!
Best regards
