<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><div>Dear all ,<br><br>I am trying to run energy minimisation of a modified PDB file (part of ATOM block copy-pasted in dummy.pdb file)<br><br>it has number of missing atoms (in the original pdb file itself) . hence the .top file is created with option "-missing".<br><br>as it has charge of -2, i have added 2 Na+ ions to .top file by replacing 2 solvent molecules. now when i try to re compile the grompp, it says that the earlier formed .tpr file (co-ordinate file for compiling grompp after adding ions) and the new .top file have different number of co-ordinates.<br><br>How should i resolve the problem ??<br>plz help as soon as possible.<br><br>Regards,<br>one of the gms-users in need<br></div></div><br>
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