09 September 2015 0 6K Report

Hello,

I am using g_x2top command to generate my topology file for PE-b-PEO system.

However, my H bonds of PEO are being assigned the incorrect opls number (should be assigned opls_185, but are being assigned opls_140)

I have edited my .n2t files with different H bond lengths for PEO and PE.

So, I manually edit the charge and the opls numbers of the PEO Hydrogens to get a charge neutral system.

When i next grompp the system, will the bond parameters(c0,c1,c2,c3) and angle parameters update according to the modified opls numbers?

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