dr_m_ganj at yahoo.com
Thu Apr 5 13:35:04 CEST 2018
Dear Justin,Can I use the charmm-gui output file for peptide (.itp file) as an input file for GROMACS, and instead of one peptide, I set 4 peptides in the bulk of water and near the head groups?In fact , I want to extract manually peptide from the final .gro file containing peptide + lipids + ion +water, and set four peptides in the bulk of water and near the head groups.Is it possible? What is the pathway exactly ? I want to use the same force field for peptide and lipid that obtained from CHARMM-GUI.
Would you please help me?thanks,Ganj
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