AMBER Archive (2004)

Subject: AMBER: RE: Hello Sir,

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Wed Aug 04 2004 - 13:32:28 CDT

Have you tried what it says? Edit MAXRING which is found in
src/antechamber/define.h and then recompile antechamber and see what
happens.
 
Ps. I have copied this email to the amber mailing list (amber_at_scripps.edu).
Please register for this mailing list (see http://amber.scripps.edu) and
post all further comments through this.
 
All the best
Ross
 
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|\oss Walker

| Department of Molecular Biology TPC15 |
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From: praveena moldy [mailto:bc_praveena_at_yahoo.co.in]
Sent: 04 August 2004 03:07
To: ross_at_rosswalker.co.uk
Subject: Hello Sir,

Now Iam trying to run molecular dynamics for C20 molecule with Amber8.0. I
have taken the optimized output of c20 from gaussian to get the prepin file.
But Sir, what the problem is, while i gave the command,
           antechamber -i c20.out -fi gout -o c20.mol2 -fo mol2
 message like,
The ring number exceeds MAXRING, increaseMAXRING and recompile the programs,
exit appeared.
 
Also Sir, the C20.mol2 prepin file contains not the information about c20
but about water. Sir this is really perplexing and I dont know what to do.
I couldnt understand why this sort of message is coming. Please help me to
figure out the problem.
Anticipating your reply Sir,
Regards,
G. Praveena

 
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