Dear Amber users,
I am getting the following error while trying to generate the force field
for a protonated cytosine (not as 5' or 3' or neutral one) using the OL15
force field in Amber 24.
/apps/scratch/compile/amber24/bin/teLeap: Error!
Could not find angle parameter for atom types: o - p3 - os
for atom O1 at position -3.028000, -2.260000, 1.553000,
atom P1 at position -2.521000, -1.721000, 0.281000,
and atom O3 at position -3.395000, -0.527000, -0.304000.
/apps/scratch/compile/amber24/bin/teLeap: Error!
Could not find angle parameter for atom types: o - p3 - os
for atom O2 at position -1.455000, -2.224000, -0.617000,
atom P1 at position -2.521000, -1.721000, 0.281000,
and atom O3 at position -3.395000, -0.527000, -0.304000.
It seems like it's unable to find the above mentioned parameter. However, I
do not know which force field I should source. For your information, I am
attaching the entire log file, input leap file, mol2, and frcmod files if
needed. Please help me to fix this issue.
Thanks in advance!
Prabir
*----------------------------------------*
*Prabir Khatua, PhD*
*Assistant Professor, Department of Chemistry*
*GITAM School of Science *
*GITAM (Deemed to be University)*
*Bengaluru-562163**, India*
*Website: https://prabir07chem.wixsite.com/computational-biophy
<
https://prabir07chem.wixsite.com/computational-biophy>*
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- application/vnd.sybyl.mol2 attachment: esp.mol2
- application/octet-stream attachment: tleap.in
Received on Wed Aug 07 2024 - 00:30:02 PDT
