[gmx-users] About Protein in Bilayer Simulation
scvsankar_agr at yahoo.com
Fri Oct 5 16:39:50 CEST 2012
Thank you Justin For Your Previous reply
Finally Somehow I have Adjusted The Cut-Off and Grid Size and Inserted Protein in Lipid By Deleting some Lipid Molecules MY Question is
1) When I am Using inflategro Perl Script ,I need to Use Cut-off , Scaling Factor ,Grid size ,
Is there is Any Rule to Set up Suitable Factor (Aforesaid) For my System ?
2) I need to Use Only Protein Surrounded By Lipid Molecules . I Do not Want to use genion tool to insert water .
Is it Possible ? and Is it Reasonable To do Direct Minimization, Equilibration, Production MD without Water ?
Thanks In Advance
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