On 4/27/2011 4:55 PM, ana johari wrote:
dear justin,
Hello,after 5ns MD,based on your recommend, I use" trjconv -f -s
-pbc -mol -center -o *.pdb" command to get the whole protein without
any separation,but I found some part of the residue was broken,and
some new bond at the end of some residue was formed.I need the intact
molecule for docking,but how should I solve this problem.
any advice was appreciate.
tanks,
See http://www.gromacs.org/Documentation/FAQs #9 and #11.
Mark
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