AMBER Archive (2007)

Subject: AMBER: Restraintmask syntax

From: Francesco Pietra (chiendarret_at_yahoo.com)
Date: Tue Dec 04 2007 - 09:30:50 CST

Because of the restriction to 80 characters for restraintmask, I find it
difficult to accomplish the task for:

77-520: residue numbers for protein.

521: residue number for ligand.

POP: residue name for lipid of membrane.

O2, P1, ... : "atom typelist" for a portion of the lipid molecules.

I am not sure that the following is correct syntax, though it will exceed the
allowed number of characters anyway:

":POP, 77-521 & @%O2, P1, O3, O4, O1, C15, C11, N, C12, H21, H22, H23, C13,
H31, H32, H33, C14, H41, H42, H43, H11, H12, H51, H52"

Any trick to account for the polar head of POPC? Thanks for help

francesco pietra

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