[gmx-users] NVT input file

Justin Lemkul jalemkul at vt.edu
Mon Oct 29 23:46:16 CET 2012

On 10/29/12 2:52 PM, Davoud Zare wrote:
> Dear Gromacs users,
> Does anyone know how to change the NVT input file for Justin tutorial (lysozymein a box of water), so that the temperature is slowly increased from 50K to 300K?, any general advise or modification of input file is highly appreciated.

Read about simulated annealing in the manual and consult the following:




Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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