Ashutosh Jogalekar wrote:
I am trying to do an MD on a peptide with an unnatural amino acid
residue. When I convert the pdb to the gro file and generate the .top
file, the amino acid residues are numbered incorrectly. The first three
are numbered ok from 1-3. But after the third one, the next one is
numbered 5 instead of 4, and after that, all the others are numbered
successively. Why is this happening?
We needed more information. Where is the unnatural amino acid? What does
your pdb file have in the region 3-5?
Mark
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
