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PNG3 missing atoms from insane.py ...
- Med
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7 years 10 months ago #5702
by Med
PNG3 missing atoms from insane.py ... was created by Med
Hi,
I'm trying to generate a lipid bilayer with PNG3 glycolipids included ....
The problem is that the gro file generated with insane.py has missing atoms (C5B & C6B) compared to the itp file (martini_v2.0_PNG3_01.itp) !!!
Any possible fix ??
Thanks in advance ,
Med
I'm trying to generate a lipid bilayer with PNG3 glycolipids included ....
The problem is that the gro file generated with insane.py has missing atoms (C5B & C6B) compared to the itp file (martini_v2.0_PNG3_01.itp) !!!
Any possible fix ??
Thanks in advance ,
Med
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- bart
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7 years 9 months ago - 7 years 9 months ago #5721
by bart
Replied by bart on topic PNG3 missing atoms from insane.py ...
Hello Med,
It seems you either have an outdated version of insane, or the lipid description in insane is outdated. If you are using the latest version of insane and it still doesn't work, you could manually add the missing beads in the lipid description of insane (the script is documented quite well).
Cheers,
Bart
It seems you either have an outdated version of insane, or the lipid description in insane is outdated. If you are using the latest version of insane and it still doesn't work, you could manually add the missing beads in the lipid description of insane (the script is documented quite well).
Cheers,
Bart
Last edit: 7 years 9 months ago by bart.
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