[EMAIL PROTECTED] wrote:
Hi, all
I have simulated a beta-hairpin folded in explicit water, I want to
compare
the simulated structure to the experimental structure using NMR. Can you tell me
how to do it? Thanks a lot!
fufengliu
Look in GROMACS manual section 7.4 for clues on what the GROMACS
utilities do. Then read the man pages of likely suspects.
Mark
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