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Need help
Author: UD Date: December 1, 2008 at 22:13
i am new to gromacs(i know nothing about simulations) and i hav the following doubts.
1) When we set temperature in gromacs say 400 K to peroform a simulation. Does the system being simulated is initially at 400 K or gets heated up as the simulation is run??( from 300 k to 330 and 400 K for example)
2)When i performed a simulation for 5 ns at 490 K on a small 40 residue peptide i observed that one of the Beta strands was missing wat could be the possible reason??? is my simulation correct?? pls help
thanks in advance
1) When we set temperature in gromacs say 400 K to peroform a simulation. Does the system being simulated is initially at 400 K or gets heated up as the simulation is run??( from 300 k to 330 and 400 K for example)
2)When i performed a simulation for 5 ns at 490 K on a small 40 residue peptide i observed that one of the Beta strands was missing wat could be the possible reason??? is my simulation correct?? pls help
thanks in advance
Author: UD Date: December 1, 2008 at 22:13
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