<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Hiiii Everybody ther,<br>
<br>
I am simulating two already docked proteins which are in a single .pdb
file to study the aggregation behavior. Doing for the first time, I
have tried with and without TER option too. There are 28 residues and
240 atoms in first chain A and same number of atoms in chain B. But
while using pdb2gmx command following error is coming..<br>
<br>
Processing chain 1 'A' (199 atoms, 28 residues)<br>
There are 32 donors and 36 acceptors<br>
There are 39 hydrogen bonds<br>
-------------------------------------------------------<br>
Program pdb2gmx, VERSION 3.3.1<br>
Source code file: pdb2gmx.c, line: 393<br>
<br>
Fatal error:<br>
Atom S in residue MET 21 not found in rtp entry with 9 atoms<br>
while sorting atoms<br>
..<br>
<br>
All Suggestions are welcome. And why it is showing only chain 1 A.<br>
<br>
Regards<br>
Radhika<br>
</td></tr></table><br>