Hi,
I have a quick question about the results of an entropy calculation...
mostly for clarification
The units are reported in:
|All units are reported in kcal/mole.
|All entropy results have units kcal/mole (Temperature is 298.15 K).
The result is:
DELTA S total= -53.1557 +/- 7.5856
1) Does this mean that the result is in fact "T * DELTA S total" ?
2) Or do I still need to multiply this result with the temperature?
3) In case 1 is the correct answer, is there a way to change the temperature
used to not be 298.15 K?
Best regards,
Jesper
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon May 23 2011 - 03:00:02 PDT