From: ramya narasimhan (ramya_jln_at_yahoo.co.in)
Date: Tue Nov 11 2008 - 03:23:43 CST
I minimized and equilibrated the protein using CHARMM22 ff. When I tried for production run, it is giving the following error.
FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE HT1
Actually this HT1, HT2 and HT3 are for the NTER residue. In the parameter file, HT is present and is for TIP3P water molecule. How to get rid of this problem?
Thanks in advance.
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