[gmx-users] g_hbond Issues

+/- 2/3/4/5/6 and so on.. Or is there any other program which can be used for this analysis. Thanks in advance, With Regards, Anil Kumar IIT Bombay. India ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx

[gmx-users] Visit my Netlog profile

Hey, I have created a Netlog profile with my pictures, videos, blogs and events and I want to add you as a friend so you can see it. You first need to register on Netlog! When you log in, you can create your own profile. Take a look:

[gmx-users] Invitation to connect on LinkedIn

LinkedIn Anil Kumar requested to add you as a connection on LinkedIn: -- Chinmay, I'd like to add you to my professional network on LinkedIn. - Anil View invitation from Anil Kumar http://www.linkedin.com/e

Re: [gmx-users] regarding dimethylated lysine topology file

! `•.¸.•´ «•´`•.(*•.¸(`•.¸ ¸.•´)¸.•*).•´`•» «•´¨*•.¸¸. * ANIL *.¸¸.•*¨`•» «•´`•.(¸.•´(¸.•* *•.¸)`•.¸).•´`•» ANIL KUMAR (Research Associate) C/O Prof. S. Durani Bio-Organic Lab No - 336 (2nd Floor), Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai-400076 (INDIA) Ph. No.- +91-22-25764780 (Lab

Re: [gmx-users] Concentration of Urea in urea solvation box

-- (¨`•.•´¨) Always `•.¸(¨`•.•´¨) Keep (¨`•.•´¨)¸.•´ Smiling! `•.¸.•´ «•´`•.(*•.¸(`•.¸ ¸.•´)¸.•*).•´`•» «•´¨*•.¸¸. * ANIL *.¸¸.•*¨`•» «•´`•.(¸.•´(¸.•* *•.¸)`•.¸).•´`•» ANIL KUMAR(Research Scholar), Bio-Organic Lab No-336(2nd Floor), Dept. of Chemistry,I.I.T.Bombay,Powai, Mumbai-400076, Ph. No.-022

Re: [gmx-users] Fatal error: No such moleculetype Cl

(¨`•.•´¨)¸.•´ Smiling! `•.¸.•´ «•´`•.(*•.¸(`•.¸ ¸.•´)¸.•*).•´`•» «•´¨*•.¸¸. * ANIL *.¸¸.•*¨`•» «•´`•.(¸.•´(¸.•* *•.¸)`•.¸).•´`•» ANIL KUMAR(Research Scholar), Bio-Organic Lab No-336(2nd Floor), Dept. of Chemistry,I.I.T.Bombay,Powai, Mumbai-400076, Ph. No.-022-25764780(Lab) Mobile:-09819638547

Re: [gmx-users] Angle definition in g_hbond ...

? Read http://www.gromacs.org/mailing_lists/users.php -- (¨`•.•´¨) Always `•.¸(¨`•.•´¨) Keep (¨`•.•´¨)¸.•´ Smiling! `•.¸.•´ «•´`•.(*•.¸(`•.¸ ¸.•´)¸.•*).•´`•» «•´¨*•.¸¸. * ANIL *.¸¸.•*¨`•» «•´`•.(¸.•´(¸.•* *•.¸)`•.¸).•´`•» ANIL KUMAR(Research Scholar), Bio-Organic Lab No-336(2nd Floor), Dept

[gmx-users] g_hbond (Version 3.3 vs Version 3.14)

in v 3.3.1! thanks in advance, With Regards anil ANIL KUMAR(Research Scholar), Bio-Organic Lab No-336(2nd Floor), Dept. of Chemistry,I.I.T.Bombay,Powai, Mumbai-400076, Ph. No.-022-25764780(Lab) - Residence:- Hostel#1,Room#297,IIT Bombay,Powai, Mumbai-400076

[gmx-users] g_hbond (Version 3.3 vs Version 3.14)

! `•.¸.•´ «•´`•.(*•.¸(`•.¸ ¸.•´)¸.•*).•´`•» «•´¨*•.¸¸. * ANIL *.¸¸.•*¨`•» «•´`•.(¸.•´(¸.•* *•.¸)`•.¸).•´`•» ANIL KUMAR(Research Scholar), Bio-Organic Lab No-336(2nd Floor), Dept. of Chemistry,I.I.T.Bombay,Powai, Mumbai-400076, Ph. No.-022-25764780(Lab) - Residence:- Hostel#1,Room#297,IIT

[gmx-users] g_hbond (Version 3.3 vs Version 3.14)

(¨`•.•´¨)¸.•´ Smiling! `•.¸.•´ «•´`•.(*•.¸(`•.¸ ¸.•´)¸.•*).•´`•» «•´¨*•.¸¸. * ANIL *.¸¸.•*¨`•» «•´`•.(¸.•´(¸.•* *•.¸)`•.¸).•´`•» ANIL KUMAR(Research Scholar), Bio-Organic Lab No-336(2nd Floor), Dept. of Chemistry,I.I.T.Bombay,Powai, Mumbai-400076, Ph

[gmx-users] g_hbond (v 3.14) vs g_hbond (3.3)

in advance, With Regards Anil ANIL KUMAR(Research Scholar), Bio-Organic Lab No-336(2nd Floor), Dept. of Chemistry,I.I.T.Bombay,Powai, Mumbai-400076, Ph. No.-022-25764780(Lab) - Residence:- Hostel#1,Room#297,IIT Bombay,Powai, Mumbai-400076,Ph.No.:-+91-9819638547

[gmx-users] g_hbond (method)

Dear all, I would like to know the actual cut-off angle used by gromacs package to calculate Hydrogen bond. since in User manual of version 3.2 and earlier, it was written á equal to or lesser than áHB = 60 degree While in User manual of version 3.3, it is mentioned as á equal to or lesser

[gmx-users] Re: Error while doing EM in DMSO.

PROTECTED] Content-Type: text/plain; charset=ISO-8859-1; format=flowed Anil Kumar wrote: Dear Users, First of all thank you Mark, yes you are right. it was problem of force field and topoloy file mismatch. I have made changes in the ffG43a1 residue toplogy file for DMSO., but still getting

[gmx-users] Error while doing EM in DMSO.

anil Message: 1 Date: Sat, 12 May 2007 16:59:40 +0530 (IST) From: Anil Kumar [EMAIL PROTECTED] Subject: [gmx-users] Error while running grompp for em (MD) in Urea To: gmx-users@gromacs.org Message-ID: [EMAIL PROTECTED] Content-Type: text/plain;charset=iso-8859-1 Dear All, Can anyone help

[gmx-users] Error while running MD in DMSO!

! `•.¸.•´ «•´`•.(*•.¸(`•.¸ ¸.•´)¸.•*).•´`•» «•´¨*•.¸¸. * ANIL *.¸¸.•*¨`•» «•´`•.(¸.•´(¸.•* *•.¸)`•.¸).•´`•» ANIL KUMAR(Research Scholar), Bio-Organic Lab No-336(2nd Floor), Dept. of Chemistry,I.I.T.Bombay,Powai, Mumbai-400076, Ph. No.-022-25764780(Lab

[gmx-users] Error while running grompp for em (MD) in Urea

! `•.¸.•´ «•´`•.(*•.¸(`•.¸ ¸.•´)¸.•*).•´`•» «•´¨*•.¸¸. * ANIL *.¸¸.•*¨`•» «•´`•.(¸.•´(¸.•* *•.¸)`•.¸).•´`•» ANIL KUMAR(Research Scholar), Bio-Organic Lab No-336(2nd Floor), Dept. of Chemistry,I.I.T.Bombay,Powai, Mumbai-400076, Ph. No.-022-25764780(Lab

[gmx-users] Problem of memory allocation while doing g_cluster

help !! Thanks in advance Anil -- (¨`•.•´¨) Always `•.¸(¨`•.•´¨) Keep (¨`•.•´¨)¸.•´ Smiling! `•.¸.•´ «•´`•.(*•.¸(`•.¸ ¸.•´)¸.•*).•´`•» «•´¨*•.¸¸. * ANIL *.¸¸.•*¨`•» «•´`•.(¸.•´(¸.•* *•.¸)`•.¸).•´`•» ANIL KUMAR(Research Scholar), Bio-Organic Lab