[gmx-users] inflategro2
Netaly Khazanov
netalyk at gmail.com
Sun Jan 6 13:28:40 CET 2019
Hi All,
My membrane contains a mixture of DPPC and DOPC lipids and aligned protein.
I am trying to insert protein into the membrane using inflategro2 scripts.
During the running the script is writing:
Deep recursion on subroutine "main::dynInflating" at
/home/gnss/netaly/FL_CFTR_Cduction/onelayer/Healthy_membrane_DPPC_DOPC_new/inflategro2_rc1/inflategro2_rc1/tegro2_org
line 736, <STDIN> line 3.
Used an inflating factor of 17.7 to solve protein-lipid overlaps
And the output inflated.gro file showed that dynamic lipids weren't scaled
back and detached from the membrane.
inflategro2_org -f protein_ATP_membrane_box1.gro -n index.ndx -p topol.top
-m deflate_org.mdp -v
Any help will be appreciated!
Netaly Khazanov
Bar-Ilan University
--
Netaly
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