[gmx-users] Query regarding generation of gaps between lipid molecules after minimisation even after using position restraints

Antara mazumdar antara.mazumdar at igib.in
Mon Feb 9 11:07:18 CET 2015


Hi,
I minimised a heterogenous lipid system of 1464  DOPC and DOPG and applied
position restraints as well as had vdwradii.dat file for genbox step. Yet
after minimisation, there are gaps between the lipid molecules. Pls suggest
a remedy.

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Regards,

Antara

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J.R.F.(Project)
Systems Biology Group
CSIR - Institute of Genomics & Integrative Biology
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