| InpMerge CHARMM Parameter Merger |
1. Introduction
InpMerge is a shell command that can be used to merge the CHARMM/NAMD parameter files in order to obtain a single file. This is useful to when you need a parameter file containing custom data saved by the missing parameter table.
2. Installation & usage
The software is installed automatically with VEGA ZZ and it requires the locale.dll and the hdrive.dll to work properly. The program must be executed from the command prompt, selecting VEGA ZZ -> VEGA Console in the Start menu.
Synopsis:
InpMerge <OUTPUT> <INPUT1> <INPUT2> ...
| <OUTPUT> | This is the name of the CHARMM/NAMD parameter output file (.inp). |
|
| <INPUT1> <INPUT2> ... |
There are the name of the CHARMM/NAMD parameter input files (.inp). InpMerge supports files containing the INCLUDE directive. |
3. History
4. Copyright and disclaimers
All trademarks and software directly or indirectly referred in this document, are copyrighted from legal owners. InpMerge is a freeware program and can be spread through Internet, BBS, CD-ROM and other electronic formats. The Authors of this program accept no responsibility for hardware/software damages resulting from the use of this package. No warranty is made about the software or its performance.
Use and copying of this software and the preparation of derivative works based on this software are permitted, so long as the following conditions are met:
The copyright notice and this entire notice are included intact and prominently carried on all copies and supporting documentation.
No fees or compensation are charged for use, copies, or access to this software. You may charge a nominal distribution fee for the physical act of transferring a copy, but you may not charge for the program itself.
If you want include the InpMerge package into a commercial file collection, you must send a written request. The Authors can accept or deny the request on their own decision.
If you change the source code to improve the InpMerge performances, please contact the authors to add your modifications in the official package.
Any work distributed or published that in whole or in part contains or is a derivative of this software or any part thereof is subject to the terms of this agreement. The aggregation of another unrelated program with this software or its derivative on a volume of storage or distribution medium does not bring the other program under the scope of these terms.
InpMerge
is a software to merge the CHARMM parameter files
Copyright 2006-2023, Alessandro Pedretti & Giulio Vistoli
All rights reserved.
Alessandro Pedretti
Dipartimento di Scienze Farmaceutiche
Università degli Studi di Milano
Via Mangiagalli, 25
I-20133 Milano - Italy
Tel. +39 02 503 19332
Fax. +39 02 503 19359
E-Mail: info@vegazz.net
WWW: http://www.vegazz.net