Dear all,
I want to calculate the distance between two specific residues with different chains. Here is my input:
distance 179-355-dist :179.NZ,HZ1,HZ2,HZ3 :355.OE1,OE2,CD out rgs01-salt-210-lys-97-glu.dat
distance K210A-E97D ::A:;
210.NZ,HZ1,HZ2,HZ3 ::D:;97.OE1,OE2,CD out rgs01-salt-210-lys-97-glu-1.dat
ACTION SETUP FOR PARM 'rgs01_renumber_only.pdb' (2 actions): 0: [distance 179-355-dist :
179.NZ,HZ1,HZ2,HZ3 :355.OE1,OE2,CD out rgs01-salt-210-lys-97-glu.dat] :
179.NZ,HZ1,HZ2,HZ3 (4 atoms) to :355.OE1,OE2,CD (3 atoms), imaged. 1: [distance K210A-E97D ::A:;
210.NZ,HZ1,HZ2,HZ3 ::D:;97.OE1,OE2,CD out rgs01-salt-210-lys-97-glu-1.dat] ::A:;
210.NZ,HZ1,HZ2,HZ3 (5086 atoms) to ::D:;97.OE1,OE2,CD (2130 atoms), imaged.
The results are different (quite obvious because the number of atoms is different). What will be the correct syntax?
Thanks and Regards,
Saikat Pal
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Received on Tue Mar 21 2023 - 09:30:03 PDT
