[gmx-users] error no default LJ-14 type

uot;dppc.itp", line 138]: No default LJ-14 types ERROR 0 [file "dppc.itp", line 139]: No default LJ-14 types ERROR 0 [file "dppc.itp", line 140]: No default LJ-14 types plz suggest me how to correct the error.( m using GROMAC 3.3.3 version.) thnks in advance... AKALABYA

[gmx-users] use of LAN for parallel processing

Thanks gromacs for you replay, can any body provide tutorial/standard protocol how to use of LAN for parallel processing. AKALABYA BISSOYI N.I.T.Rourkela ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman

[gmx-users] parallel processing using LAN

For parallel processing is it possible to use the system connected to the local area network something like clustering the system for simulation. plz suggest me so that i can use my resources for faster simulation. thanks AKALABYA BISSOYI N.I.T.Rourkela

[gmx-users] parallel computing

you in advance AKALABYA BISSOYI N.I.T.Rourkela ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't pos

[gmx-users] Mg ion not recognize.

on in ligand file , Prodrg server was showing error during generation of ligand toplogy file as it doesnt include Mg ion. So pls suggest me how can i do this job.." AKALABYA BISSOYI. N.I.T.Rourkela ___ gmx-users mailing listgmx-users@gromac

[gmx-users] T-Coupling group Protein has fewer than 10% of the atoms

y can recognize the error,i am attaching the pr.mdp file. Thank you have nice day. AKALABYA BISSOYI NIT ROURKELA,INDIA pr.mdp Description: Binary data ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-user

[gmx-users] md.mdp query

hello gromacs, i want to know the changes to be done in md.mdp files for 10 ns. i am trying to run it but it's showing the following message. Steepest Descents: Tolerance (Fmax) = 1.0e+01 Number of steps= 1000 Step=0, Dmax= 1.0e-02 nm, Epot= -5.01412e+06 Fmax= 3.66197e

[gmx-users] NEUTRALISED CHARGES

hello gromacs i am trying to minimise my protein-ligand complex in gromacs.but it shows that system has non zero charge can any body says how much *cl ion*, i have to add to neutralised it. i am terminal window text. thank u -- AKALABYA BISSOYI N.I.T.Rourkela system Description: Binary data

[gmx-users] installation gromacs-3.2.1 in redhat-6

hello everybody i am trying to install gromacs-3.2.1 in redhat-6 EP. but facing problem (missing --run autoheader). plz any body tell me how to install it. i am sending the terminal window massage. thank you in advance -- AKALABYA BISSOYI N.I.T.Rourkela log file(gromacs-3.2.1) Description

[gmx-users] akalabya bissoyi has invited you to open a Google mail account

I've been using Gmail and thought you might like to try it out. Here's an invitation to create an account. --- akalabya bissoyi has invited you to open a free Gmail account. To accept this invitation and registe

[gmx-users] Re: gmx-users Digest, Vol 58, Issue 125

gt; > > Today's Topics: > > 1. gromac running in ubantu 8.10 (akalabya bissoyi) > 2. Re: gromac running in ubantu 8.10 (Justin A. Lemkul) > 3. Turning off electrostatic or Van der Waals interactions (Lee Soin) > 4. Re: Turning off electrostatic or Van der Waals

[gmx-users] gromac running in ubantu 8.10

hello everybody i have install gromac in my ubantu8.10 through synaptic package but after install how to run the programme, where to put the input file ,how to run the programme. plz anybody help me. thank u have nice day -- akalabya N.I.T.Rourkela __