Re: [gmx-users] X Amino Acids for Building CG Structure

2016-08-30 Thread Tsjerk Wassenaar
Hi Elka, Methyl asparagine is not known by DSSP and is not availble in Martini. You're probably best off replacing it by asparagine: sed '/^ATOM/s/MEN/ASN/' 1HG0.pdb > out.pdb Cheers, Tsjerk On Fri, Aug 26, 2016 at 11:26 AM, Elka Firmanda wrote: > Hi, I just got "X"

[gmx-users] X Amino Acids for Building CG Structure

2016-08-26 Thread Elka Firmanda
Hi, I just got "X" amino acids on DSSP, what does it means ? when I use the DSSP file to build coarse grained structure with martini 2.2 force field, I lost some amino acids because of this "x" amino acids on DSSP. So, how to build CG structure if I have this "x" amino acids ? I want to build CG