Hi, I think I have asked this question earlier in the forum .. that during my 3ns simulation of a 230 amino acid proteins some portion of 2 beta strands got converted to loop/random coil, after visualizing in VMD. I checked the DSSP profile also .. and as per the DSSP results it's coil in that region .. can anybody tell me where can the error be as I have been checking my structure right from the minimization step till npt equilibration and its was fine ... this has happened only after simulation ... pls help ??
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