[gmx-users] H definition in urea topology file buildup
divyadube at gmail.com
Tue May 10 07:02:29 CEST 2016
There are four hydrogen atoms in urea molecule for which I have made H
atoms definition in aminoacids.hdb file.
1 3 H11 N1 C N2
1 3 H12 N1 C N2
1 3 H21 N2 C N1
1 3 H22 N2 C N1
Still pdb2gmx is unable in recognizing these H atoms and giving error.
Can anyone suggest the correct way of defining urea in HDb file
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