Thanks all of you for suggestion. I were to use water-solvated protein
system, so 480K will be quite high for it, so I ll try to choose
temperature ranges within 273-373 K. (Hope I have not wrong!!). I
wondered such temperature because i have seen some references using
temperature 420K or so.
On Mon, 17 Dec 2007 16:12:28 +0530
Monika <[EMAIL PROTECTED]> wrote:
Hello!!
I have asked this question since I want to do simulation at 480K to look for
high-temperature behavior. Will it be correct if I simulate at this
temperature??
You have not mentioned what system would be simulated at
Monika wrote:
Hello!!
I have asked this question since I want to do simulation at 480K to look
for high-temperature behavior. Will it be correct if I simulate at this
temperature??
Thanking you,
Regards,
Monika
It depends on the system (which you do not mention). The FF is made for
room tempe
Hello!!
I have asked this question since I want to do simulation at 480K to look
for high-temperature behavior. Will it be correct if I simulate at this
temperature??
Thanking you,
Regards,
Monika
David van der Spoel wrote:
Monika wrote:
Dear All,
I wish to know that at what temperature range
Monika wrote:
Dear All,
I wish to know that at what temperature range the Gromacs OPLS-AA
parameters are valid? I couldn't find any such information. If anyone
has some idea regarding the lower and upper limit of temperature range
within which the calculations can be done. Since I think that p
Dear All,
I wish to know that at what temperature range the Gromacs OPLS-AA
parameters are valid? I couldn't find any such information. If anyone
has some idea regarding the lower and upper limit of temperature range
within which the calculations can be done. Since I think that parameters
are
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